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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    Analogs

    1953722
    1953722

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[5-[2-keto-2-[(N'E)-N'-vanillylidenehydrazino]ethyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide N-[5-[2-keto-2-[(N'E)-N'-vanilly…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 6980 0.23 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.83 5.24 -32.58 3 12 0 172 456.44 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(4Z)-4-[[5-(1,3-dioxoisoindolin-5-yl)-2-furyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfo 4-[(4Z)-4-[[5-(1,3-dioxoisoindol…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 6700 0.21 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.22 4.1 -31.99 3 10 0 158 476.47 4 ↓
    Hi High (pH 8-9.5) 2.36 1.49 -80.57 2 10 -1 161 475.462 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[5-methoxy-2-(2-thienyl)quinazolin-4-yl]amino]-3-methyl-3-pyrroline-2,5-quinone 1-[[5-methoxy-2-(2-thienyl)quina…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKA-2-E Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 1300 0.32 Binding ≤ 10μM
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.44 Binding ≤ 10μM
    TF65-1-E Nuclear Factor NF-kappa-B P65 Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 380 0.35 Binding ≤ 10μM
    FOS-1-E Proto-oncogene Protein C-fos (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.44 Functional ≤ 10μM
    JUN-1-E Proto-oncogene C-JUN (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.44 Functional ≤ 10μM
    NFKB1-1-E Nuclear Factor NF-kappa-B P105 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.44 Functional ≤ 10μM
    NFKB2-1-E Nuclear Factor NF-kappa-B P100/p49 Subunits (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.44 Functional ≤ 10μM
    TF65-1-E Nuclear Factor NF-kappa-B P65 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.44 Functional ≤ 10μM
    Z81072-1-O Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other Other 8 0.44 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.25 7.83 -20.46 1 7 0 86 366.402 4 ↓

    Analogs

    4095791
    4095791
    12501465
    12501465

    Draw Identity 99% 90% 80% 70%

    Popular Name: staurosporine staurosporine

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    AAK1-1-E Adaptor-associated Kinase (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.36 Binding ≤ 10μM
    AAPK1-1-E AMP-activated Protein Kinase, Alpha-1 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.32 Binding ≤ 10μM
    AAPK2-1-E AMP-activated Protein Kinase, Alpha-2 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 12 0.32 Binding ≤ 10μM
    ABL1-1-E Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic Eukaryotes 91 0.28 Binding ≤ 10μM
    ABL2-1-E Tyrosine-protein Kinase ABL2 (cluster #1 Of 1), Eukaryotic Eukaryotes 160 0.27 Binding ≤ 10μM
    ACK1-1-E Tyrosine Kinase Non-receptor Protein 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 17 0.31 Binding ≤ 10μM
    ACV1B-1-E Activin Receptor Type-1B (cluster #1 Of 1), Eukaryotic Eukaryotes 680 0.25 Binding ≤ 10μM
    ACVR1-1-E Activin Receptor Type-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 470 0.25 Binding ≤ 10μM
    AKT1-2-E RAC-alpha Serine/threonine-protein Kinase (cluster #2 Of 3), Eukaryotic Eukaryotes 6 0.33 Binding ≤ 10μM
    AKT2-2-E Serine/threonine-protein Kinase AKT2 (cluster #2 Of 2), Eukaryotic Eukaryotes 9 0.32 Binding ≤ 10μM
    AKT3-2-E Serine/threonine-protein Kinase AKT3 (cluster #2 Of 2), Eukaryotic Eukaryotes 5 0.33 Binding ≤ 10μM
    ALK-1-E ALK Tyrosine Kinase Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 32 0.30 Binding ≤ 10μM
    ANKK1-1-E Ankyrin Repeat And Protein Kinase Domain-containing Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 270 0.26 Binding ≤ 10μM
    AURKA-1-E Serine/threonine-protein Kinase Aurora-A (cluster #1 Of 3), Eukaryotic Eukaryotes 22 0.31 Binding ≤ 10μM
    AURKB-1-E Serine/threonine-protein Kinase Aurora-B (cluster #1 Of 2), Eukaryotic Eukaryotes 19 0.31 Binding ≤ 10μM
    AURKC-1-E Serine/threonine-protein Kinase Aurora-C (cluster #1 Of 2), Eukaryotic Eukaryotes 23 0.31 Binding ≤ 10μM
    AVR2B-1-E Activin Receptor Type-2B (cluster #1 Of 1), Eukaryotic Eukaryotes 4600 0.21 Binding ≤ 10μM
    BLK-1-E Tyrosine-protein Kinase BLK (cluster #1 Of 1), Eukaryotic Eukaryotes 15 0.31 Binding ≤ 10μM
    BMP2K-1-E BMP-2-inducible Protein Kinase (cluster #1 Of 2), Eukaryotic Eukaryotes 6 0.33 Binding ≤ 10μM
    BMR1A-1-E Bone Morphogenetic Protein Receptor Type-1A (cluster #1 Of 1), Eukaryotic Eukaryotes 3700 0.22 Binding ≤ 10μM
    BMX-1-E Tyrosine-protein Kinase BMX (cluster #1 Of 1), Eukaryotic Eukaryotes 410 0.26 Binding ≤ 10μM
    BRSK1-1-E BR Serine/threonine-protein Kinase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 26 0.30 Binding ≤ 10μM
    BRSK2-1-E BR Serine/threonine-protein Kinase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.34 Binding ≤ 10μM
    BTK-1-E Tyrosine-protein Kinase BTK (cluster #1 Of 1), Eukaryotic Eukaryotes 710 0.25 Binding ≤ 10μM
    CCNB1-1-E G2/mitotic-specific Cyclin B1 (cluster #1 Of 2), Eukaryotic Eukaryotes 6 0.33 Binding ≤ 10μM
    CCNB2-1-E G2/mitotic-specific Cyclin B2 (cluster #1 Of 2), Eukaryotic Eukaryotes 6 0.33 Binding ≤ 10μM
    CCNB3-1-E G2/mitotic-specific Cyclin B3 (cluster #1 Of 2), Eukaryotic Eukaryotes 6 0.33 Binding ≤ 10μM
    CCNE1-1-E G1/S-specific Cyclin E1 (cluster #1 Of 2), Eukaryotic Eukaryotes 20 0.31 Binding ≤ 10μM
    CCNE2-1-E G1/S-specific Cyclin E2 (cluster #1 Of 2), Eukaryotic Eukaryotes 20 0.31 Binding ≤ 10μM
    CDK1-1-E Cyclin-dependent Kinase 1 (cluster #1 Of 4), Eukaryotic Eukaryotes 8 0.32 Binding ≤ 10μM
    CDK14-1-E Serine/threonine-protein Kinase PFTAIRE-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 160 0.27 Binding ≤ 10μM
    CDK16-1-E Serine/threonine-protein Kinase PCTAIRE-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 25 0.30 Binding ≤ 10μM
    CDK17-1-E Serine/threonine-protein Kinase PCTAIRE-2 (cluster #1 Of 1), Eukaryotic Eukaryotes 96 0.28 Binding ≤ 10μM
    CDK18-1-E Serine/threonine-protein Kinase PCTAIRE-3 (cluster #1 Of 1), Eukaryotic Eukaryotes 270 0.26 Binding ≤ 10μM
    CDK19-1-E Cell Division Cycle 2-like Protein Kinase 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 190 0.27 Binding ≤ 10μM
    CDK2-1-E Cyclin-dependent Kinase 2 (cluster #1 Of 5), Eukaryotic Eukaryotes 8 0.32 Binding ≤ 10μM
    CDK3-1-E Cyclin-dependent Kinase 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 7 0.33 Binding ≤ 10μM
    CDK4-2-E Cyclin-dependent Kinase 4 (cluster #2 Of 3), Eukaryotic Eukaryotes 18 0.31 Binding ≤ 10μM
    CDK5-1-E Cyclin-dependent Kinase 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 89 0.28 Binding ≤ 10μM
    CDK6-1-E Cyclin-dependent Kinase 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 116 0.28 Binding ≤ 10μM
    CDK7-1-E Cyclin-dependent Kinase 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 45 0.29 Binding ≤ 10μM
    CDK8-1-E Cell Division Protein Kinase 8 (cluster #1 Of 1), Eukaryotic Eukaryotes 510 0.25 Binding ≤ 10μM
    CDK9-1-E Cyclin-dependent Kinase 9 (cluster #1 Of 2), Eukaryotic Eukaryotes 3 0.34 Binding ≤ 10μM
    CHK1-1-E Serine/threonine-protein Kinase Chk1 (cluster #1 Of 2), Eukaryotic Eukaryotes 10 0.32 Binding ≤ 10μM
    CHK2-1-E Serine/threonine-protein Kinase Chk2 (cluster #1 Of 1), Eukaryotic Eukaryotes 7 0.33 Binding ≤ 10μM
    CLK1-2-E Dual Specificty Protein Kinase CLK1 (cluster #2 Of 2), Eukaryotic Eukaryotes 32 0.30 Binding ≤ 10μM
    CLK2-1-E Dual Specificity Protein Kinase CLK2 (cluster #1 Of 2), Eukaryotic Eukaryotes 8 0.32 Binding ≤ 10μM
    CLK3-1-E Dual Specificity Protein Kinase CLK3 (cluster #1 Of 1), Eukaryotic Eukaryotes 910 0.24 Binding ≤ 10μM
    CLK4-1-E Dual Specificity Protein Kinase CLK4 (cluster #1 Of 2), Eukaryotic Eukaryotes 10 0.32 Binding ≤ 10μM
    CSF1R-1-E Macrophage Colony-stimulating Factor 1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 12 0.32 Binding ≤ 10μM
    CSK-1-E Tyrosine-protein Kinase CSK (cluster #1 Of 1), Eukaryotic Eukaryotes 440 0.25 Binding ≤ 10μM
    CSK21-1-E Casein Kinase II Alpha (cluster #1 Of 3), Eukaryotic Eukaryotes 7620 0.20 Binding ≤ 10μM
    CSK22-1-E Casein Kinase II Alpha (prime) (cluster #1 Of 2), Eukaryotic Eukaryotes 7 0.33 Binding ≤ 10μM
    CSK2B-1-E Casein Kinase II Beta (cluster #1 Of 3), Eukaryotic Eukaryotes 7000 0.21 Binding ≤ 10μM
    CTRO-1-E Citron Rho-interacting Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 340 0.26 Binding ≤ 10μM
    DAPK1-1-E Death-associated Protein Kinase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.36 Binding ≤ 10μM
    DAPK2-1-E Death-associated Protein Kinase 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 3 0.34 Binding ≤ 10μM
    DAPK3-1-E Death-associated Protein Kinase 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 1500 0.23 Binding ≤ 10μM
    DCLK1-1-E Serine/threonine-protein Kinase DCLK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 110 0.28 Binding ≤ 10μM
    DCLK2-1-E Serine/threonine-protein Kinase DCLK2 (cluster #1 Of 1), Eukaryotic Eukaryotes 73 0.29 Binding ≤ 10μM
    DCLK3-1-E Serine/threonine-protein Kinase DCLK3 (cluster #1 Of 1), Eukaryotic Eukaryotes 17 0.31 Binding ≤ 10μM
    DDR1-1-E Epithelial Discoidin Domain-containing Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 19 0.31 Binding ≤ 10μM
    DDR2-1-E Discoidin Domain-containing Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 42 0.30 Binding ≤ 10μM
    DMPK-1-E Myotonin-protein Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.34 Binding ≤ 10μM
    DYR1B-1-E Dual Specificity Tyrosine-phosphorylation-regulated Kinase 1B (cluster #1 Of 1), Eukaryotic Eukaryotes 28 0.30 Binding ≤ 10μM
    E2AK2-1-E Interferon-induced, Double-stranded RNA-activated Protein Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 100 0.28 Binding ≤ 10μM
    E2AK2-1-E Interferon-induced, Double-stranded RNA-activated Protein Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 360 0.26 Binding ≤ 10μM
    E2AK4-1-E Eukaryotic Translation Initiation Factor 2-alpha Kinase 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 16 0.31 Binding ≤ 10μM
    EGFR-1-E Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic Eukaryotes 96 0.28 Binding ≤ 10μM
    EPHA1-1-E Ephrin Type-A Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 300 0.26 Binding ≤ 10μM
    EPHA2-1-E Ephrin Type-A Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 870 0.24 Binding ≤ 10μM
    EPHA3-1-E Ephrin Type-A Receptor 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 55 0.29 Binding ≤ 10μM
    EPHA4-1-E Ephrin Type-A Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 710 0.25 Binding ≤ 10μM
    EPHA5-1-E Ephrin Type-A Receptor 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 95 0.28 Binding ≤ 10μM
    EPHA6-1-E Ephrin Type-A Receptor 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 290 0.26 Binding ≤ 10μM
    EPHA7-1-E Ephrin Type-A Receptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 690 0.25 Binding ≤ 10μM
    EPHA8-1-E Ephrin Type-A Receptor 8 (cluster #1 Of 1), Eukaryotic Eukaryotes 300 0.26 Binding ≤ 10μM
    EPHB1-1-E Ephrin Type-B Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 590 0.25 Binding ≤ 10μM
    EPHB2-1-E Ephrin Type-B Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 2100 0.23 Binding ≤ 10μM
    EPHB4-1-E Ephrin Type-B Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 233 0.27 Binding ≤ 10μM
    ERBB4-1-E Receptor Protein-tyrosine Kinase ErbB-4 (cluster #1 Of 1), Eukaryotic Eukaryotes 282 0.26 Binding ≤ 10μM
    FAK1-1-E Focal Adhesion Kinase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 68 0.29 Binding ≤ 10μM
    FAK2-1-E Protein-tyrosine Kinase 2-beta (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.34 Binding ≤ 10μM
    FER-1-E Tyrosine-protein Kinase FER (cluster #1 Of 1), Eukaryotic Eukaryotes 30 0.30 Binding ≤ 10μM
    FES-1-E Tyrosine-protein Kinase FES (cluster #1 Of 1), Eukaryotic Eukaryotes 23 0.31 Binding ≤ 10μM
    FGFR1-1-E Fibroblast Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 90 0.28 Binding ≤ 10μM
    FGFR2-1-E Fibroblast Growth Factor Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 420 0.26 Binding ≤ 10μM
    FGFR3-1-E Fibroblast Growth Factor Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 88 0.28 Binding ≤ 10μM
    FGFR4-1-E Fibroblast Growth Factor Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 420 0.26 Binding ≤ 10μM
    FGR-1-E Tyrosine-protein Kinase FGR (cluster #1 Of 2), Eukaryotic Eukaryotes 30 0.30 Binding ≤ 10μM
    FLT3-1-E Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.34 Binding ≤ 10μM
    FRK-1-E Tyrosine-protein Kinase FRK (cluster #1 Of 1), Eukaryotic Eukaryotes 45 0.29 Binding ≤ 10μM
    FYN-1-E Tyrosine-protein Kinase FYN (cluster #1 Of 5), Eukaryotic Eukaryotes 83 0.28 Binding ≤ 10μM
    GAK-1-E Serine/threonine-protein Kinase GAK (cluster #1 Of 2), Eukaryotic Eukaryotes 68 0.29 Binding ≤ 10μM
    GSK3A-1-E Glycogen Synthase Kinase-3 Alpha (cluster #1 Of 3), Eukaryotic Eukaryotes 140 0.27 Binding ≤ 10μM
    GSK3B-1-E Glycogen Synthase Kinase-3 Beta (cluster #1 Of 7), Eukaryotic Eukaryotes 89 0.28 Binding ≤ 10μM
    HCK-1-E Tyrosine-protein Kinase HCK (cluster #1 Of 1), Eukaryotic Eukaryotes 20 0.31 Binding ≤ 10μM
    HIPK1-1-E Homeodomain-interacting Protein Kinase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 2639 0.22 Binding ≤ 10μM
    IGF1R-1-E Insulin-like Growth Factor 1 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 35 0.30 Binding ≤ 10μM
    IKKA-2-E Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 39 0.30 Binding ≤ 10μM
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 771 0.24 Binding ≤ 10μM
    IKKE-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Epsilon Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.33 Binding ≤ 10μM
    INSR-1-E Insulin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 200 0.27 Binding ≤ 10μM
    INSRR-1-E Insulin Receptor-related Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 81 0.28 Binding ≤ 10μM
    IRAK3-1-E Interleukin-1 Receptor-associated Kinase 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 13 0.32 Binding ≤ 10μM
    IRAK4-1-E Interleukin-1 Receptor-associated Kinase 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 34 0.30 Binding ≤ 10μM
    ITK-1-E Tyrosine-protein Kinase ITK/TSK (cluster #1 Of 1), Eukaryotic Eukaryotes 19 0.31 Binding ≤ 10μM
    JAK2-1-E Tyrosine-protein Kinase JAK2 (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.33 Binding ≤ 10μM
    JAK3-1-E Tyrosine-protein Kinase JAK3 (cluster #1 Of 2), Eukaryotic Eukaryotes 6 0.33 Binding ≤ 10μM
    KAP2-1-E CAMP-dependent Protein Kinase Type II-alpha Regulatory Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 100 0.28 Binding ≤ 10μM
    KAPCA-1-E CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 4), Eukaryotic Eukaryotes 27 0.30 Binding ≤ 10μM
    KAPCB-1-E CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 4 0.34 Binding ≤ 10μM
    KAPCG-1-E CAMP-dependent Protein Kinase, Gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 80 0.28 Binding ≤ 10μM
    KC1A-1-E Casein Kinase I Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 1400 0.23 Binding ≤ 10μM
    KC1AL-1-E Casein Kinase I Isoform Alpha-like (cluster #1 Of 1), Eukaryotic Eukaryotes 250 0.26 Binding ≤ 10μM
    KC1D-1-E Casein Kinase I Delta (cluster #1 Of 1), Eukaryotic Eukaryotes 1400 0.23 Binding ≤ 10μM
    KC1E-1-E Casein Kinase I Epsilon (cluster #1 Of 2), Eukaryotic Eukaryotes 1400 0.23 Binding ≤ 10μM
    KC1G1-1-E Casein Kinase I Gamma 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 1400 0.23 Binding ≤ 10μM
    KC1G2-1-E Casein Kinase I Gamma 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 780 0.24 Binding ≤ 10μM
    KCC1A-1-E CaM Kinase I Alpha (cluster #1 Of 2), Eukaryotic Eukaryotes 40 0.30 Binding ≤ 10μM
    KCC1D-1-E CaM Kinase I Delta (cluster #1 Of 2), Eukaryotic Eukaryotes 2 0.35 Binding ≤ 10μM
    KCC1G-1-E CaM Kinase I Gamma (cluster #1 Of 2), Eukaryotic Eukaryotes 53 0.29 Binding ≤ 10μM
    KCC2A-1-E CaM Kinase II Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.33 Binding ≤ 10μM
    KCC2B-1-E CaM Kinase II Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.33 Binding ≤ 10μM
    KCC2D-1-E CaM Kinase II Delta (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.33 Binding ≤ 10μM
    KCC2G-1-E CaM Kinase II Gamma (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.33 Binding ≤ 10μM
    KCC4-1-E CaM Kinase IV (cluster #1 Of 1), Eukaryotic Eukaryotes 41 0.30 Binding ≤ 10μM
    KGP1-1-E CGMP-dependent Protein Kinase 1 Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 32 0.30 Binding ≤ 10μM
    KGP2-1-E CGMP-dependent Protein Kinase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 16 0.31 Binding ≤ 10μM
    KIT-1-E Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 10 0.32 Binding ≤ 10μM
    KKCC1-1-E CaM-kinase Kinase Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
    KKCC2-1-E CaM-kinase Kinase Beta (cluster #1 Of 2), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
    KPB1-1-E Phosphorylase Kinase Alpha M Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.36 Binding ≤ 10μM
    KPB2-1-E Phosphorylase Kinase Alpha L Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.36 Binding ≤ 10μM
    KPBB-1-E Phosphorylase Kinase Beta Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.36 Binding ≤ 10μM
    KPCA-1-E Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic Eukaryotes 8 0.32 Binding ≤ 10μM
    KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 9 0.32 Binding ≤ 10μM
    KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 8 0.32 Binding ≤ 10μM
    KPCD1-1-E Protein Kinase C Mu (cluster #1 Of 3), Eukaryotic Eukaryotes 8 0.32 Binding ≤ 10μM
    KPCD2-1-E Serine/threonine-protein Kinase D2 (cluster #1 Of 1), Eukaryotic Eukaryotes 72 0.29 Binding ≤ 10μM
    KPCD3-1-E Protein Kinase C Nu (cluster #1 Of 3), Eukaryotic Eukaryotes 8 0.32 Binding ≤ 10μM
    KPCE-1-E Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic Eukaryotes 8 0.32 Binding ≤ 10μM
    KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 9 0.32 Binding ≤ 10μM
    KPCI-1-E Protein Kinase C Iota (cluster #1 Of 3), Eukaryotic Eukaryotes 8 0.32 Binding ≤ 10μM
    KPCL-2-E Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic Eukaryotes 9 0.32 Binding ≤ 10μM
    KPCT-1-E Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic Eukaryotes 9 0.32 Binding ≤ 10μM
    KPCZ-1-E Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic Eukaryotes 8 0.32 Binding ≤ 10μM
    KS6A1-1-E Ribosomal Protein S6 Kinase Alpha 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.33 Binding ≤ 10μM
    KS6A2-1-E Ribosomal Protein S6 Kinase Alpha 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 9 0.32 Binding ≤ 10μM
    KS6A3-1-E Ribosomal Protein S6 Kinase Alpha 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 69 0.29 Binding ≤ 10μM
    KS6A4-1-E Ribosomal Protein S6 Kinase Alpha 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.33 Binding ≤ 10μM
    KS6A5-1-E Ribosomal Protein S6 Kinase Alpha 5 (cluster #1 Of 3), Eukaryotic Eukaryotes 890 0.24 Binding ≤ 10μM
    KS6A6-1-E Ribosomal Protein S6 Kinase Alpha 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.33 Binding ≤ 10μM
    KS6B1-1-E Ribosomal Protein S6 Kinase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 5 0.33 Binding ≤ 10μM
    KS6B2-1-E Ribosomal Protein S6 Kinase 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 5 0.33 Binding ≤ 10μM
    KSYK-1-E Tyrosine-protein Kinase SYK (cluster #1 Of 2), Eukaryotic Eukaryotes 7 0.33 Binding ≤ 10μM
    LATS1-1-E Serine/threonine-protein Kinase LATS1 (cluster #1 Of 1), Eukaryotic Eukaryotes 42 0.30 Binding ≤ 10μM
    LATS2-1-E Serine/threonine-protein Kinase LATS2 (cluster #1 Of 1), Eukaryotic Eukaryotes 17 0.31 Binding ≤ 10μM
    LCK-1-E Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic Eukaryotes 4 0.34 Binding ≤ 10μM
    LIMK1-1-E LIM Domain Kinase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 690 0.25 Binding ≤ 10μM
    LIMK2-1-E LIM Domain Kinase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 9200 0.20 Binding ≤ 10μM
    LTK-1-E Leukocyte Tyrosine Kinase Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 37 0.30 Binding ≤ 10μM
    LYN-1-E Tyrosine-protein Kinase Lyn (cluster #1 Of 1), Eukaryotic Eukaryotes 40 0.30 Binding ≤ 10μM
    M3K10-1-E Mitogen-activated Protein Kinase Kinase Kinase 10 (cluster #1 Of 1), Eukaryotic Eukaryotes 52 0.29 Binding ≤ 10μM
    M3K11-1-E Mitogen-activated Protein Kinase Kinase Kinase 11 (cluster #1 Of 1), Eukaryotic Eukaryotes 20 0.31 Binding ≤ 10μM
    M3K14-1-E Mitogen-activated Protein Kinase Kinase Kinase 14 (cluster #1 Of 1), Eukaryotic Eukaryotes 2300 0.23 Binding ≤ 10μM
    M3K4-1-E Mitogen-activated Protein Kinase Kinase Kinase 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 2200 0.23 Binding ≤ 10μM
    M3K5-1-E Mitogen-activated Protein Kinase Kinase Kinase 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 37 0.30 Binding ≤ 10μM
    M3K7-1-E Mitogen-activated Protein Kinase Kinase Kinase 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 35 0.30 Binding ≤ 10μM
    M3K9-1-E Mitogen-activated Protein Kinase Kinase Kinase 9 (cluster #1 Of 1), Eukaryotic Eukaryotes 10 0.32 Binding ≤ 10μM
    M4K1-1-E Mitogen-activated Protein Kinase Kinase Kinase Kinase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.34 Binding ≤ 10μM
    M4K3-1-E Mitogen-activated Protein Kinase Kinase Kinase Kinase 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.32 Binding ≤ 10μM
    M4K4-1-E Mitogen-activated Protein Kinase Kinase Kinase Kinase 4 (cluster #1 Of 2), Eukaryotic Eukaryotes 24 0.30 Binding ≤ 10μM
    M4K5-1-E Mitogen-activated Protein Kinase Kinase Kinase Kinase 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 26 0.30 Binding ≤ 10μM
    MAPK2-1-E MAP Kinase-activated Protein Kinase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 880 0.24 Binding ≤ 10μM
    MARK1-1-E Serine/threonine-protein Kinase MARK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.34 Binding ≤ 10μM
    MARK2-1-E MAP/microtubule Affinity-regulating Kinase 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.36 Binding ≤ 10μM
    MARK3-1-E Serine/threonine-protein Kinase C-TAK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.34 Binding ≤ 10μM
    MARK4-1-E MAP/microtubule Affinity-regulating Kinase 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.33 Binding ≤ 10μM
    MELK-1-E Maternal Embryonic Leucine Zipper Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 33 0.30 Binding ≤ 10μM
    MERTK-1-E Proto-oncogene Tyrosine-protein Kinase MER (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.33 Binding ≤ 10μM
    MET-1-E Hepatocyte Growth Factor Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 190 0.27 Binding ≤ 10μM
    MINK1-1-E Misshapen-like Kinase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
    MK01-1-E Mitogen-activated Protein Kinase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 7300 0.21 Binding ≤ 10μM
    MK03-1-E MAP Kinase ERK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 8400 0.20 Binding ≤ 10μM
    MK07-1-E Mitogen-activated Protein Kinase 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 1600 0.23 Binding ≤ 10μM
    MK08-1-E Mitogen-activated Protein Kinase 8 (cluster #1 Of 5), Eukaryotic Eukaryotes 520 0.25 Binding ≤ 10μM
    MK09-1-E C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic Eukaryotes 1100 0.24 Binding ≤ 10μM
    MK10-1-E C-Jun N-terminal Kinase 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 340 0.26 Binding ≤ 10μM
    MK11-1-E MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.24 Binding ≤ 10μM
    MK12-1-E MAP Kinase P38 Gamma (cluster #1 Of 2), Eukaryotic Eukaryotes 92 0.28 Binding ≤ 10μM
    MK13-1-E MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.24 Binding ≤ 10μM
    MK14-1-E MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic Eukaryotes 1000 0.24 Binding ≤ 10μM
    MK15-1-E Mitogen-activated Protein Kinase 15 (cluster #1 Of 1), Eukaryotic Eukaryotes 35 0.30 Binding ≤ 10μM
    MKNK1-1-E MAP Kinase-interacting Serine/threonine-protein Kinase MNK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 170 0.27 Binding ≤ 10μM
    MKNK2-1-E MAP Kinase Signal-integrating Kinase 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 22 0.31 Binding ≤ 10μM
    MP2K1-1-E Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #1 Of 4), Eukaryotic Eukaryotes 670 0.25 Binding ≤ 10μM
    MP2K2-1-E Dual Specificity Mitogen-activated Protein Kinase Kinase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 28 0.30 Binding ≤ 10μM
    MP2K3-1-E Dual Specificity Mitogen-activated Protein Kinase Kinase 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.33 Binding ≤ 10μM
    MP2K4-1-E Dual Specificity Mitogen-activated Protein Kinase Kinase 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 70 0.29 Binding ≤ 10μM
    MP2K6-1-E Dual Specificity Mitogen-activated Protein Kinase Kinase 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.34 Binding ≤ 10μM
    MRCKA-1-E Serine/threonine-protein Kinase MRCK-A (cluster #1 Of 1), Eukaryotic Eukaryotes 57 0.29 Binding ≤ 10μM
    MRCKB-1-E Serine/threonine-protein Kinase MRCK Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 42 0.30 Binding ≤ 10μM
    MRCKG-1-E Serine/threonine-protein Kinase MRCK Gamma (cluster #1 Of 1), Eukaryotic Eukaryotes 37 0.30 Binding ≤ 10μM
    MST4-1-E Serine/threonine-protein Kinase MST4 (cluster #1 Of 1), Eukaryotic Eukaryotes 140 0.27 Binding ≤ 10μM
    MUSK-1-E Muscle, Skeletal Receptor Tyrosine Protein Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 86 0.28 Binding ≤ 10μM
    MYLK-1-E Myosin Light Chain Kinase, Smooth Muscle (cluster #1 Of 1), Eukaryotic Eukaryotes 40 0.30 Binding ≤ 10μM
    MYLK2-1-E Myosin Light Chain Kinase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 61 0.29 Binding ≤ 10μM
    MYLK4-1-E Myosin Light Chain Kinase Family Member 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 470 0.25 Binding ≤ 10μM
    MYO3A-1-E Myosin IIIA (cluster #1 Of 1), Eukaryotic Eukaryotes 500 0.25 Binding ≤ 10μM
    MYO3B-1-E Myosin-IIIB (cluster #1 Of 1), Eukaryotic Eukaryotes 300 0.26 Binding ≤ 10μM
    NEK1-1-E Serine/threonine-protein Kinase Nek1 (cluster #1 Of 1), Eukaryotic Eukaryotes 860 0.24 Binding ≤ 10μM
    NEK2-1-E Serine/threonine-protein Kinase NEK2 (cluster #1 Of 1), Eukaryotic Eukaryotes 750 0.24 Binding ≤ 10μM
    NEK5-1-E Serine/threonine-protein Kinase Nek5 (cluster #1 Of 1), Eukaryotic Eukaryotes 810 0.24 Binding ≤ 10μM
    NEK7-1-E Serine/threonine-protein Kinase NEK7 (cluster #1 Of 1), Eukaryotic Eukaryotes 4500 0.21 Binding ≤ 10μM
    NEK9-1-E Serine/threonine-protein Kinase NEK9 (cluster #1 Of 1), Eukaryotic Eukaryotes 6700 0.21 Binding ≤ 10μM
    NLK-1-E Serine/threonine Protein Kinase NLK (cluster #1 Of 1), Eukaryotic Eukaryotes 220 0.27 Binding ≤ 10μM
    NTRK1-1-E Nerve Growth Factor Receptor Trk-A (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.34 Binding ≤ 10μM
    NTRK2-1-E Neurotrophic Tyrosine Kinase Receptor Type 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.34 Binding ≤ 10μM
    NTRK3-1-E NT-3 Growth Factor Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 17 0.31 Binding ≤ 10μM
    NUAK1-1-E NUAK Family SNF1-like Kinase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.34 Binding ≤ 10μM
    NUAK2-1-E NUAK Family SNF1-like Kinase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
    P90584-2-E Protein Kinase Pfmrk (cluster #2 Of 2), Eukaryotic Eukaryotes 4000 0.22 Binding ≤ 10μM
    PAK1-1-E Serine/threonine-protein Kinase PAK 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.35 Binding ≤ 10μM
    PAK2-1-E Serine/threonine-protein Kinase PAK 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.34 Binding ≤ 10μM
    PAK3-1-E Serine/threonine-protein Kinase PAK 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 7 0.33 Binding ≤ 10μM
    PAK4-1-E Serine/threonine-protein Kinase PAK 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.32 Binding ≤ 10μM
    PAK6-1-E Serine/threonine-protein Kinase PAK6 (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.36 Binding ≤ 10μM
    PAK7-1-E Serine/threonine-protein Kinase PAK7 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.34 Binding ≤ 10μM
    PDPK1-1-E 3-phosphoinositide Dependent Protein Kinase-1 (cluster #1 Of 2), Eukaryotic Eukaryotes 2 0.35 Binding ≤ 10μM
    PGFRA-1-E Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic Eukaryotes 2 0.35 Binding ≤ 10μM
    PGFRB-1-E Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.34 Binding ≤ 10μM
    PHKG1-1-E Phosphorylase Kinase Gamma Subunit 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 3 0.34 Binding ≤ 10μM
    PHKG2-1-E Phosphorylase Kinase Gamma Subunit 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 3 0.34 Binding ≤ 10μM
    PI42B-1-E Phosphatidylinositol-5-phosphate 4-kinase Type-2 Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 77 0.28 Binding ≤ 10μM
    PI51A-1-E Phosphatidylinositol-4-phosphate 5-kinase Type-1 Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 43 0.29 Binding ≤ 10μM
    PIM1-1-E Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.32 Binding ≤ 10μM
    PIM2-1-E Serine/threonine-protein Kinase PIM2 (cluster #1 Of 2), Eukaryotic Eukaryotes 7 0.33 Binding ≤ 10μM
    PIM3-1-E Serine/threonine-protein Kinase PIM3 (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.36 Binding ≤ 10μM
    PKN1-1-E Protein Kinase N1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.36 Binding ≤ 10μM
    PKN2-1-E Protein Kinase N2 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.34 Binding ≤ 10μM
    PLK1-1-E Serine/threonine-protein Kinase PLK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 190 0.27 Binding ≤ 10μM
    PLK2-1-E Serine/threonine-protein Kinase PLK2 (cluster #1 Of 1), Eukaryotic Eukaryotes 197 0.27 Binding ≤ 10μM
    PLK3-1-E Serine/threonine-protein Kinase PLK3 (cluster #1 Of 1), Eukaryotic Eukaryotes 910 0.24 Binding ≤ 10μM
    PLK4-1-E Serine/threonine-protein Kinase PLK4 (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.36 Binding ≤ 10μM
    PRKX-1-E Serine/threonine-protein Kinase PRKX (cluster #1 Of 1), Eukaryotic Eukaryotes 13 0.32 Binding ≤ 10μM
    PTK6-1-E Tyrosine-protein Kinase BRK (cluster #1 Of 1), Eukaryotic Eukaryotes 2300 0.23 Binding ≤ 10μM
    Q95J97-1-E CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 80 0.28 Binding ≤ 10μM
    RAF1-1-E Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.34 Binding ≤ 10μM
    RET-1-E Tyrosine-protein Kinase Receptor RET (cluster #1 Of 1), Eukaryotic Eukaryotes 28 0.30 Binding ≤ 10μM
    RIOK1-1-E Serine/threonine-protein Kinase RIO1 (cluster #1 Of 1), Eukaryotic Eukaryotes 130 0.28 Binding ≤ 10μM
    RIOK3-1-E Serine/threonine-protein Kinase RIO3 (cluster #1 Of 1), Eukaryotic Eukaryotes 76 0.28 Binding ≤ 10μM
    RIPK2-1-E Serine/threonine-protein Kinase RIPK2 (cluster #1 Of 1), Eukaryotic Eukaryotes 5200 0.21 Binding ≤ 10μM
    ROCK1-1-E Rho-associated Protein Kinase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.36 Binding ≤ 10μM
    ROS1-1-E Proto-oncogene Tyrosine-protein Kinase ROS (cluster #1 Of 1), Eukaryotic Eukaryotes 30 0.30 Binding ≤ 10μM
    SIK1-1-E Serine/threonine-protein Kinase SIK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.35 Binding ≤ 10μM
    SIK2-1-E Serine/threonine-protein Kinase SIK2 (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.36 Binding ≤ 10μM
    SLK-1-E Serine/threonine-protein Kinase 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
    SRC-1-E Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic Eukaryotes 86 0.28 Binding ≤ 10μM
    SRMS-1-E Tyrosine-protein Kinase Srms (cluster #1 Of 1), Eukaryotic Eukaryotes 740 0.25 Binding ≤ 10μM
    SRPK1-1-E Serine/threonine-protein Kinase SRPK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.33 Binding ≤ 10μM
    SRPK2-1-E Serine/threonine-protein Kinase SRPK2 (cluster #1 Of 1), Eukaryotic Eukaryotes 67 0.29 Binding ≤ 10μM
    ST17A-1-E Serine/threonine-protein Kinase 17A (cluster #1 Of 2), Eukaryotic Eukaryotes 23 0.31 Binding ≤ 10μM
    ST17B-1-E Serine/threonine-protein Kinase 17B (cluster #1 Of 1), Eukaryotic Eukaryotes 26 0.30 Binding ≤ 10μM
    ST32B-1-E Serine/threonine-protein Kinase 32B (cluster #1 Of 1), Eukaryotic Eukaryotes 98 0.28 Binding ≤ 10μM
    ST32C-1-E Serine/threonine-protein Kinase 32C (cluster #1 Of 1), Eukaryotic Eukaryotes 310 0.26 Binding ≤ 10μM
    ST38L-1-E Serine/threonine-protein Kinase 38-like (cluster #1 Of 2), Eukaryotic Eukaryotes 77 0.28 Binding ≤ 10μM
    STK10-1-E Serine/threonine-protein Kinase 10 (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
    STK11-1-E Serine/threonine-protein Kinase 11 (cluster #1 Of 1), Eukaryotic Eukaryotes 61 0.29 Binding ≤ 10μM
    STK16-1-E Serine/threonine-protein Kinase 16 (cluster #1 Of 1), Eukaryotic Eukaryotes 270 0.26 Binding ≤ 10μM
    STK24-1-E Serine/threonine-protein Kinase 24 (cluster #1 Of 1), Eukaryotic Eukaryotes 120 0.28 Binding ≤ 10μM
    STK25-1-E Serine/threonine-protein Kinase 25 (cluster #1 Of 1), Eukaryotic Eukaryotes 110 0.28 Binding ≤ 10μM
    STK3-1-E Serine/threonine-protein Kinase MST2 (cluster #1 Of 2), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
    STK33-1-E Serine/threonine-protein Kinase 33 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.35 Binding ≤ 10μM
    STK36-1-E Serine/threonine-protein Kinase 36 (cluster #1 Of 1), Eukaryotic Eukaryotes 6700 0.21 Binding ≤ 10μM
    STK4-1-E Serine/threonine-protein Kinase MST1 (cluster #1 Of 2), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
    SYK-1-E Lysyl-tRNA Synthetase (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.32 Binding ≤ 10μM
    TAB1-1-E Mitogen-activated Protein Kinase Kinase Kinase 7-interacting Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 35 0.30 Binding ≤ 10μM
    TBA1A-1-E Tubulin Alpha-3 Chain (cluster #1 Of 3), Eukaryotic Eukaryotes 770 0.24 Binding ≤ 10μM
    TEC-1-E Tyrosine-protein Kinase TEC (cluster #1 Of 1), Eukaryotic Eukaryotes 1300 0.24 Binding ≤ 10μM
    TESK1-1-E Dual Specificity Testis-specific Protein Kinase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 320 0.26 Binding ≤ 10μM
    TGFR1-1-E TGF-beta Receptor Type I (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.23 Binding ≤ 10μM
    TIE1-1-E Tyrosine-protein Kinase Receptor Tie-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 65 0.29 Binding ≤ 10μM
    TIE2-1-E Tyrosine-protein Kinase TIE-2 (cluster #1 Of 2), Eukaryotic Eukaryotes 52 0.29 Binding ≤ 10μM
    TLK1-1-E Serine/threonine-protein Kinase Tousled-like 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 27 0.30 Binding ≤ 10μM
    TLK2-1-E Serine/threonine-protein Kinase Tousled-like 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 16 0.31 Binding ≤ 10μM
    TNI3K-1-E Serine/threonine-protein Kinase TNNI3K (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.24 Binding ≤ 10μM
    TNIK-1-E TRAF2- And NCK-interacting Kinase (cluster #1 Of 2), Eukaryotic Eukaryotes 6 0.33 Binding ≤ 10μM
    TNK1-1-E Non-receptor Tyrosine-protein Kinase TNK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.34 Binding ≤ 10μM
    TSSK1-1-E Testis-specific Serine/threonine-protein Kinase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 24 0.30 Binding ≤ 10μM
    TTK-1-E Dual Specificity Protein Kinase TTK (cluster #1 Of 2), Eukaryotic Eukaryotes 61 0.29 Binding ≤ 10μM
    TXK-1-E Tyrosine-protein Kinase TXK (cluster #1 Of 1), Eukaryotic Eukaryotes 230 0.27 Binding ≤ 10μM
    TYK2-1-E Tyrosine-protein Kinase TYK2 (cluster #1 Of 1), Eukaryotic Eukaryotes 56 0.29 Binding ≤ 10μM
    TYRO3-1-E Tyrosine-protein Kinase Receptor TYRO3 (cluster #1 Of 1), Eukaryotic Eukaryotes 49 0.29 Binding ≤ 10μM
    UFO-1-E Tyrosine-protein Kinase Receptor UFO (cluster #1 Of 1), Eukaryotic Eukaryotes 7 0.33 Binding ≤ 10μM
    ULK3-1-E Serine/threonine-protein Kinase ULK3 (cluster #1 Of 2), Eukaryotic Eukaryotes 3 0.34 Binding ≤ 10μM
    VGFR1-1-E Vascular Endothelial Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 14 0.31 Binding ≤ 10μM
    VGFR2-1-E Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 88 0.28 Binding ≤ 10μM
    VGFR3-1-E Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 14 0.31 Binding ≤ 10μM
    WEE1-1-E Serine/threonine-protein Kinase WEE1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1600 0.23 Binding ≤ 10μM
    YES-1-E Tyrosine-protein Kinase YES (cluster #1 Of 1), Eukaryotic Eukaryotes 52 0.29 Binding ≤ 10μM
    ZAP70-1-E Tyrosine-protein Kinase ZAP-70 (cluster #1 Of 1), Eukaryotic Eukaryotes 53 0.29 Binding ≤ 10μM
    AKT1-1-E Serine/threonine-protein Kinase AKT (cluster #1 Of 1), Eukaryotic Eukaryotes 460 0.25 Functional ≤ 10μM
    KPCB-1-E Protein Kinase C Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 77 0.28 Functional ≤ 10μM
    Z104294-1-O Cyclin-dependent Kinase 5/CDK5 Activator 1 (cluster #1 Of 2), Other Other 10 0.32 Binding ≤ 10μM
    Z104295-1-O Cyclin-dependent Kinase 4/cyclin D1 (cluster #1 Of 2), Other Other 59 0.29 Binding ≤ 10μM
    Z100081-2-O PBMC (Peripheral Blood Mononuclear Cells) (cluster #2 Of 4), Other Other 16 0.31 Functional ≤ 10μM
    Z100201-1-O Splenocytes (Spleen Cells) (cluster #1 Of 1), Other Other 400 0.26 Functional ≤ 10μM
    Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 190 0.27 Functional ≤ 10μM
    Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 7500 0.20 Functional ≤ 10μM
    Z80120-1-O DLD-1 (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other Other 9 0.32 Functional ≤ 10μM
    Z80166-1-O HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other Other 3 0.34 Functional ≤ 10μM
    Z80211-1-O LoVo (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other Other 1 0.36 Functional ≤ 10μM
    Z80224-1-O MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other Other 50 0.29 Functional ≤ 10μM
    Z80800-1-O MIA PaCa-2 (Pancreatic Carcinoma Cells) (cluster #1 Of 2), Other Other 370 0.26 Functional ≤ 10μM
    Z80928-1-O HCT-116 (Colon Carcinoma Cells) (cluster #1 Of 9), Other Other 6 0.33 Functional ≤ 10μM
    Z80936-1-O HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other Other 77 0.28 Functional ≤ 10μM
    Z81057-1-O HUVEC (Umbilical Vein Endothelial Cells) (cluster #1 Of 4), Other Other 4 0.34 Functional ≤ 10μM
    Z81072-1-O Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other Other 71 0.29 Functional ≤ 10μM
    Z81247-1-O HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other Other 0 0.00 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.89 8.49 -39.52 3 7 1 74 467.549 2 ↓
    Hi High (pH 8-9.5) 3.89 8.85 -16.32 2 7 0 69 466.541 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-(2-chloro-6-fluorobenzylidene)-2-[(2,8-dimethyl-4-quinolinyl)sulfanyl]acetohydrazide N'-(2-chloro-6-fluorobenzylidene…

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    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 3710 0.28 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 5.27 -0.27 -17.49 1 4 0 54 401.894 5 ↓

    Analogs

    33690729
    33690729
    33690730
    33690730
    33757121
    33757121
    33760096
    33760096
    33760097
    33760097

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[2-[(4R)-5-keto-1-methyl-3-p-anisyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic-acid-methyl-e 4-[[2-[(4R)-5-keto-1-methyl-3-p-…

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    And 8 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 9780 0.23 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.87 -0.1 -16.75 1 8 0 88 441.509 8 ↓

    Analogs

    33690729
    33690729
    33690730
    33690730
    33757121
    33757121

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[2-[(4S)-5-keto-1-methyl-3-p-anisyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic-acid-methyl-e 4-[[2-[(4S)-5-keto-1-methyl-3-p-…

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    Vendors

    And 8 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 9780 0.23 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.87 0.45 -23.38 1 8 0 88 441.509 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: SC-514 SC-514

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    And 5 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.57 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.57 1.06 -7.99 4 3 0 69 224.31 2 ↓
    Lo Low (pH 4.5-6) 1.57 0.91 -36.1 5 3 1 71 225.318 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N/A N/A

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKA-2-E Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 70 0.29 Binding ≤ 10μM
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 70 0.29 Binding ≤ 10μM
    NEMO-1-E NF-kappa-B Essential Modulator (cluster #1 Of 1), Eukaryotic Eukaryotes 70 0.29 Binding ≤ 10μM
    IKKA-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 500 0.25 Functional ≤ 10μM
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 500 0.25 Functional ≤ 10μM
    JAK1-1-E Tyrosine-protein Kinase JAK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.23 Functional ≤ 10μM
    JAK2-1-E Tyrosine-protein Kinase JAK2 (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.23 Functional ≤ 10μM
    NEMO-1-E NF-kappa-B Essential Modulator (cluster #1 Of 1), Eukaryotic Eukaryotes 500 0.25 Functional ≤ 10μM
    Z100081-2-O PBMC (Peripheral Blood Mononuclear Cells) (cluster #2 Of 4), Other Other 300 0.26 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.88 16.15 -47.35 2 6 1 63 484.649 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 9600 0.50 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.51 0.78 -11.3 4 4 0 82 187.202 1 ↓

    Analogs

    10011131
    10011131

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-aminothieno[2,3-b]pyridine-2-carboxamide 3-aminothieno[2,3-b]pyridine-2-c…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 7400 0.55 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.47 -1.01 -9.88 4 4 0 82 193.231 1 ↓
    Lo Low (pH 4.5-6) 0.47 -0.73 -39.68 5 4 1 83 194.239 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-amino-5-phenylthiophene-2-carboxamide 3-amino-5-phenylthiophene-2-carb…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.48 Binding ≤ 10μM
    CP1A2-1-E Cytochrome P450 1A2 (cluster #1 Of 3), Eukaryotic Eukaryotes 5000 0.49 ADME/T ≤ 10μM
    CP3A4-2-E Cytochrome P450 3A4 (cluster #2 Of 4), Eukaryotic Eukaryotes 3500 0.51 ADME/T ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.99 2.12 -7.58 4 3 0 69 218.281 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-Amino-5-(4-fluorophenyl)thiophene-2-carboxamide 3-Amino-5-(4-fluorophenyl)thioph…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.46 Binding ≤ 10μM
    CP2C9-1-E Cytochrome P450 2C9 (cluster #1 Of 3), Eukaryotic Eukaryotes 7000 0.45 ADME/T ≤ 10μM
    CP2CJ-1-E Cytochrome P450 2C19 (cluster #1 Of 3), Eukaryotic Eukaryotes 4000 0.47 ADME/T ≤ 10μM
    CP3A4-2-E Cytochrome P450 3A4 (cluster #2 Of 4), Eukaryotic Eukaryotes 2000 0.50 ADME/T ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.15 -3.32 -7.82 4 3 0 69 236.271 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-amino-2-(2-chlorophenyl)oxazole-4-carboxamide 5-amino-2-(2-chlorophenyl)oxazol…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 6600 0.45 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.44 -2.53 -8.17 4 5 0 95 237.646 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-amino-2-(o-tolyl)oxazole-4-carboxamide 5-amino-2-(o-tolyl)oxazole-4-car…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 6300 0.46 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.21 -2.61 -7.58 4 5 0 95 217.228 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Merck 5 Merck 5

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    CDK2-4-E Cyclin-dependent Kinase 2 (cluster #4 Of 5), Eukaryotic Eukaryotes 3300 0.33 Binding ≤ 10μM
    CSK-1-E Tyrosine-protein Kinase CSK (cluster #1 Of 1), Eukaryotic Eukaryotes 2100 0.35 Binding ≤ 10μM
    FER-1-E Tyrosine-protein Kinase FER (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.55 Binding ≤ 10μM
    FGFR1-1-E Fibroblast Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1480 0.35 Binding ≤ 10μM
    FGFR2-1-E Fibroblast Growth Factor Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 940 0.37 Binding ≤ 10μM
    FGFR3-1-E Fibroblast Growth Factor Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 1480 0.35 Binding ≤ 10μM
    FGFR4-1-E Fibroblast Growth Factor Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 1480 0.35 Binding ≤ 10μM
    FYN-1-E Tyrosine-protein Kinase FYN (cluster #1 Of 5), Eukaryotic Eukaryotes 500 0.38 Binding ≤ 10μM
    HCK-1-E Tyrosine-protein Kinase HCK (cluster #1 Of 1), Eukaryotic Eukaryotes 7700 0.31 Binding ≤ 10μM
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 300 0.40 Binding ≤ 10μM
    JAK1-1-E Tyrosine-protein Kinase JAK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 15 0.48 Binding ≤ 10μM
    JAK2-1-E Tyrosine-protein Kinase JAK2 (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.55 Binding ≤ 10μM
    JAK3-2-E Tyrosine-protein Kinase JAK3 (cluster #2 Of 2), Eukaryotic Eukaryotes 5 0.51 Binding ≤ 10μM
    KAP3-1-E CAMP-dependent Protein Kinase Type II-beta Regulatory Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 7100 0.31 Binding ≤ 10μM
    KAPCA-2-E CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #2 Of 4), Eukaryotic Eukaryotes 7100 0.31 Binding ≤ 10μM
    KAPCB-2-E CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 7100 0.31 Binding ≤ 10μM
    KAPCG-1-E CAMP-dependent Protein Kinase, Gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 7100 0.31 Binding ≤ 10μM
    KPCA-6-E Protein Kinase C Alpha (cluster #6 Of 6), Eukaryotic Eukaryotes 1200 0.36 Binding ≤ 10μM
    MP2K1-1-E Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #1 Of 4), Eukaryotic Eukaryotes 160 0.41 Binding ≤ 10μM
    MP2K2-1-E Dual Specificity Mitogen-activated Protein Kinase Kinase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 160 0.41 Binding ≤ 10μM
    PGFRA-1-E Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic Eukaryotes 1490 0.35 Binding ≤ 10μM
    PGFRB-1-E Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 1490 0.35 Binding ≤ 10μM
    TYK2-1-E Tyrosine-protein Kinase TYK2 (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.55 Binding ≤ 10μM
    VGFR1-1-E Vascular Endothelial Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1520 0.35 Binding ≤ 10μM
    VGFR2-1-E Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 1400 0.36 Binding ≤ 10μM
    VGFR3-1-E Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 690 0.38 Binding ≤ 10μM
    JAK1-1-E Tyrosine-protein Kinase JAK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 52 0.44 Functional ≤ 10μM
    JAK3-1-E Tyrosine-protein Kinase JAK3 (cluster #1 Of 1), Eukaryotic Eukaryotes 52 0.44 Functional ≤ 10μM
    Z104300-1-O Mitogen-activated Protein Kinase; ERK1/ERK2 (cluster #1 Of 1), Other Other 1780 0.35 Binding ≤ 10μM
    Z80109-2-O CTLL (Cytotoxic T-cells) (cluster #2 Of 2), Other Other 52 0.44 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.03 7.37 -15.5 2 4 0 62 309.344 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: BMS-345541 BMS-345541

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKA-2-E Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 4000 0.40 Binding ≤ 10μM
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 300 0.48 Binding ≤ 10μM
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 4000 0.40 Functional ≤ 10μM
    Z100081-1-O PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other Other 800 0.45 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.33 4.58 -50.15 4 5 1 70 256.333 3 ↓
    Lo Low (pH 4.5-6) 1.33 5.07 -92.92 5 5 2 71 257.341 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(4-Fluorophenyl)-2-ureidothiophene-3-carboxamide 5-(4-Fluorophenyl)-2-ureidothiop…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    E2AK2-1-E Interferon-induced, Double-stranded RNA-activated Protein Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 250 0.49 Binding ≤ 10μM
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 20 0.57 Binding ≤ 10μM
    JAK2-1-E Tyrosine-protein Kinase JAK2 (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.61 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.68 0.49 -11.33 5 5 0 98 279.296 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: DNC006551 DNC006551

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 970 0.53 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.82 6.21 -7.33 2 3 0 52 227.292 1 ↓
    Lo Low (pH 4.5-6) 2.82 6.48 -28.66 3 3 1 53 228.3 1 ↓
    Lo Low (pH 4.5-6) 2.82 2.75 -27.94 3 3 1 53 228.3 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Amino-6-(2-(cyclopropylmethoxy)-6-hydroxyphenyl)-4-(piperidin-4-yl)nicotinonitrile hydrochloride 2-Amino-6-(2-(cyclopropylmethoxy…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKA-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 250 0.34 Binding ≤ 10μM
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.42 Binding ≤ 10μM
    Z100081-1-O PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other Other 96 0.36 Functional ≤ 10μM
    Z80682-1-O A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other Other 40 0.38 Functional ≤ 10μM
    Z80936-1-O HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other Other 130 0.36 Functional ≤ 10μM
    Z81057-1-O HUVEC (Umbilical Vein Endothelial Cells) (cluster #1 Of 4), Other Other 30 0.39 Functional ≤ 10μM
    Z81072-1-O Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other Other 147 0.35 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.47 6.53 -49.9 5 6 1 109 365.457 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide 3-amino-4,6-dimethylthieno[2,3-b…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    BTK-1-E Tyrosine-protein Kinase BTK (cluster #1 Of 1), Eukaryotic Eukaryotes 4100 0.50 Binding ≤ 10μM
    IKKA-2-E Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 2800 0.52 Binding ≤ 10μM
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 2700 0.52 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.29 0.45 -9.66 4 4 0 82 221.285 1 ↓
    Lo Low (pH 4.5-6) 1.29 0.7 -33.61 5 4 1 83 222.293 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-amino-5-phenylthiophene-3-carboxamide 2-amino-5-phenylthiophene-3-carb…

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    And 36 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 1900 0.53 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.87 2.15 -7.71 4 3 0 69 218.281 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-amino-2-(4-tert-butylphenyl)oxazole-4-carboxamide 5-amino-2-(4-tert-butylphenyl)ox…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 6300 0.38 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.52 -0.71 -6.69 4 5 0 95 259.309 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-phenyl-2-ureido-thiophene-3-carboxamide 5-phenyl-2-ureido-thiophene-3-ca…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 13 0.61 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.52 0.36 -14.9 5 5 0 98 261.306 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-Amino-5-(4-chlorophenyl)thiophene-2-carboxamide 3-Amino-5-(4-chlorophenyl)thioph…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 6600 0.45 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.66 -4.21 -7.36 4 3 0 69 252.726 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-amino-2-(2,5-dihydroxyphenyl)-6-(3-piperidinyl)-5-Pyrimidinecarbonitrile 4-amino-2-(2,5-dihydroxyphenyl)-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 316 0.40 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.91 1.06 -43.89 6 7 1 133 312.353 2 ↓
    Lo Low (pH 4.5-6) 0.91 -1.77 -91.34 7 7 2 134 313.361 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-amino-2-(2,5-dihydroxyphenyl)-6-(3-piperidinyl)-5-Pyrimidinecarbonitrile 4-amino-2-(2,5-dihydroxyphenyl)-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 316 0.40 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.91 1.06 -44.94 6 7 1 133 312.353 2 ↓
    Lo Low (pH 4.5-6) 0.91 1.33 -103.46 7 7 2 134 313.361 2 ↓
    Lo Low (pH 4.5-6) 0.91 -1.77 -92.44 7 7 2 134 313.361 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(3,4-dihydroxyphenyl)methylene]-2-imino-thiazolidin-4-one 5-[(3,4-dihydroxyphenyl)methylen…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 1760 0.50 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.17 -5.23 -9.98 4 5 0 97 236.252 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-3-(N-ethylanilino)-2-[[2-(4-pyridyl)-1H-benzimidazole-5-carbonyl]amino]propanoic (2S)-3-(N-ethylanilino)-2-[[2-(4…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 70 0.31 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.30 10.29 -58.1 2 8 -1 114 428.472 8 ↓
    Lo Low (pH 4.5-6) 1.30 10.45 -54.93 3 8 0 115 429.48 8 ↓
    Lo Low (pH 4.5-6) 1.30 10.51 -58.53 3 8 0 115 429.48 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[2-[2-(benzyl-methyl-amino)ethoxy]phenyl]-2-ureido-thiophene-3-carboxamide 5-[2-[2-(benzyl-methyl-amino)eth…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 40 0.35 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.96 -4.74 -41.22 6 7 1 111 425.534 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-(2-(cyclopropylmethoxy)-6-hydroxyphenyl)-5-(piperidin-3-yl)-1H-pyrido[2,3-d][1,3]oxazin-2(4H)-one hydrochloride 7-(2-(cyclopropylmethoxy)-6-hydr…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.42 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.77 -4.91 -59.86 4 7 1 97 396.467 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-amino-4-methyl-2-phenyl-7-thia-5-azabicyclo[4.3.0]nona-2,4,8,10-tetraene-8-carboxamide 9-amino-4-methyl-2-phenyl-7-thia…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 7400 0.36 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.64 3.38 -8.73 4 4 0 82 283.356 2 ↓
    Lo Low (pH 4.5-6) 2.64 3.64 -33.75 5 4 1 83 284.364 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(6-Chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-2-methylnicotinamide N-(6-Chloro-7-methoxy-9H-pyrido[…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 45 0.40 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.98 -1.51 -14.07 2 6 0 79 366.808 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: PS 1145 PS 1145

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKKA-3-E Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit (cluster #3 Of 3), Eukaryotic Eukaryotes 100 0.43 Binding ≤ 10μM
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 250 0.40 Binding ≤ 10μM
    PIM1-1-E Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1100 0.36 Binding ≤ 10μM
    PIM3-1-E Serine/threonine-protein Kinase PIM3 (cluster #1 Of 1), Eukaryotic Eukaryotes 880 0.37 Binding ≤ 10μM
    IKKA-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 150 0.42 Functional ≤ 10μM
    IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 150 0.42 Functional ≤ 10μM
    IKKE-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Epsilon Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 150 0.42 Functional ≤ 10μM
    NEMO-1-E NF-kappa-B Essential Modulator (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.32 Functional ≤ 10μM
    Z81247-1-O HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other Other 5000 0.32 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.61 6.16 -45.72 3 5 1 72 323.763 2 ↓
    Mid Mid (pH 6-8) 2.61 5.68 -11.11 2 5 0 71 322.755 2 ↓

    Parameters Provided:

    target.name = IKKB-1-E
target.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

    Structural Results Found: (before additional filtering)

    SQL Query Was

    SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'IKKB-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?target.name=IKKB-1-E&target.type=B10&filter.purchasability=purchasable

    Embed Link to Results

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