| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 17th, 2006 | 34 | Yes |
Popular Name: BMS-536924 BMS-536924
Find On: PubMed — Wikipedia — Google
CAS Numbers: 468740-43-4 , [468740-43-4]
| 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) | 3.48 | 6.3 | -21.76 | 4 | 8 | 0 | 106 | 479.968 | 6 | ↓ |
| Ref Reference (pH 7) | 3.48 | 6.31 | -21.49 | 4 | 8 | 0 | 106 | 479.968 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.48 | 6.54 | -33.46 | 5 | 8 | 1 | 108 | 480.976 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.48 | 6.55 | -33.69 | 5 | 8 | 1 | 108 | 480.976 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | IGF-1R | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR-1-E | Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1600 | 0.24 | Binding ≤ 10μM |
| FAK1-1-E | Focal Adhesion Kinase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 150 | 0.28 | Binding ≤ 10μM |
| IGF1R-1-E | Insulin-like Growth Factor 1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 110 | 0.29 | Binding ≤ 10μM |
| INSR-1-E | Insulin Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 73 | 0.29 | Binding ≤ 10μM |
| LCK-1-E | Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic | Eukaryotes | 341 | 0.27 | Binding ≤ 10μM |
| MET-1-E | Hepatocyte Growth Factor Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4870 | 0.22 | Binding ≤ 10μM |
| MP2K1-1-E | Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 182 | 0.28 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1400 | 0.24 | Binding ≤ 10μM |
| CP2C9-1-E | Cytochrome P450 2C9 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1200 | 0.24 | ADME/T ≤ 10μM |
| CP2CJ-1-E | Cytochrome P450 2C19 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2000 | 0.23 | ADME/T ≤ 10μM |
| CP3A4-2-E | Cytochrome P450 3A4 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 5300 | 0.22 | ADME/T ≤ 10μM |
| Z80099-1-O | COLO 205 (Colon Adenocarcinoma Cells) (cluster #1 Of 3), Other | Other | 212 | 0.27 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 460 | 0.26 | Functional ≤ 10μM |
| Z80421-1-O | RD (Rhabdomyosarcoma Cells) (cluster #1 Of 1), Other | Other | 202 | 0.28 | Functional ≤ 10μM |
| Z50594-1-O | Mus Musculus (cluster #1 Of 1), Other | Other | 51 | 0.30 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MP2K1_HUMAN | Q02750 | Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human | 182 | 0.28 | Binding ≤ 1μM |
| FAK1_HUMAN | Q05397 | Focal Adhesion Kinase 1, Human | 150 | 0.28 | Binding ≤ 1μM |
| INSR_HUMAN | P06213 | Insulin Receptor, Human | 73 | 0.29 | Binding ≤ 1μM |
| IGF1R_MOUSE | Q60751 | Insulin-like Growth Factor 1 Receptor, Mouse | 110 | 0.29 | Binding ≤ 1μM |
| IGF1R_HUMAN | P08069 | Insulin-like Growth Factor I Receptor, Human | 100 | 0.29 | Binding ≤ 1μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 341 | 0.27 | Binding ≤ 1μM |
| MP2K1_HUMAN | Q02750 | Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human | 182 | 0.28 | Binding ≤ 10μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 1600 | 0.24 | Binding ≤ 10μM |
| FAK1_HUMAN | Q05397 | Focal Adhesion Kinase 1, Human | 150 | 0.28 | Binding ≤ 10μM |
| MET_HUMAN | P08581 | Hepatocyte Growth Factor Receptor, Human | 4870 | 0.22 | Binding ≤ 10μM |
| INSR_HUMAN | P06213 | Insulin Receptor, Human | 73 | 0.29 | Binding ≤ 10μM |
| IGF1R_MOUSE | Q60751 | Insulin-like Growth Factor 1 Receptor, Mouse | 110 | 0.29 | Binding ≤ 10μM |
| IGF1R_HUMAN | P08069 | Insulin-like Growth Factor I Receptor, Human | 100 | 0.29 | Binding ≤ 10μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 341 | 0.27 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 1400 | 0.24 | Binding ≤ 10μM |
| Z80099 | Z80099 | COLO 205 (Colon Adenocarcinoma Cells) | 212 | 0.27 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 460 | 0.26 | Functional ≤ 10μM |
| Z80421 | Z80421 | RD (Rhabdomyosarcoma Cells) | 202 | 0.28 | Functional ≤ 10μM |
| CP2CJ_HUMAN | P33261 | Cytochrome P450 2C19, Human | 2000 | 0.23 | ADME/T ≤ 10μM |
| CP2C9_HUMAN | P11712 | Cytochrome P450 2C9, Human | 1200 | 0.24 | ADME/T ≤ 10μM |
| CP3A4_HUMAN | P08684 | Cytochrome P450 3A4, Human | 0.5 | 0.38 | ADME/T ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 51 | 0.30 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Aflatoxin activation and detoxification | |
| Apoptotic cleavage of cellular proteins | |
| CD28 co-stimulation | |
| CD28 dependent PI3K/Akt signaling | |
| CD28 dependent Vav1 pathway | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CTLA4 inhibitory signaling | |
| CYP2E1 reactions | |
| DAP12 signaling | |
| DCC mediated attractive signaling | |
| Downstream TCR signaling | |
| EGFR downregulation | |
| EGFR interacts with phospholipase C-gamma | |
| EGFR Transactivation by Gastrin | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| ERK1 activation | |
| GAB1 signalosome | |
| Generation of second messenger molecules | |
| GPVI-mediated activation cascade | |
| GRB2 events in EGFR signaling | |
| GRB2 events in ERBB2 signaling | |
| GRB2:SOS provides linkage to MAPK signaling for Integrins | |
| Insulin receptor recycling | |
| Integrin alphaIIb beta3 signaling | |
| Integrin cell surface interactions | |
| Interleukin-1 signaling | |
| Interleukin-2 signaling | |
| IRS activation | |
| IRS-related events triggered by IGF1R | |
| MEK activation | |
| NCAM signaling for neurite out-growth | |
| Nef and signal transduction | |
| Nef Mediated CD4 Down-regulation | |
| Netrin mediated repulsion signals | |
| Neurophilin interactions with VEGF and VEGFR | |
| p130Cas linkage to MAPK signaling for integrins | |
| PD-1 signaling | |
| PECAM1 interactions | |
| Phosphorylation of CD3 and TCR zeta chains | |
| PI3K events in ERBB2 signaling | |
| PIP3 activates AKT signaling | |
| PLCG1 events in ERBB2 signaling | |
| RAF phosphorylates MEK | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of KIT signaling | |
| Sema4D mediated inhibition of cell attachment and migration | |
| SHC activation | |
| SHC-related events triggered by IGF1R | |
| SHC1 events in EGFR signaling | |
| SHC1 events in ERBB2 signaling | |
| Signal attenuation | |
| Signal regulatory protein (SIRP) family interactions | |
| Signal transduction by L1 | |
| Signaling by constitutively active EGFR | |
| Signaling by EGFR | |
| Signaling by ERBB2 | |
| Signaling by ERBB4 | |
| Signaling by FGFR | |
| Signaling by Insulin receptor | |
| Signaling by SCF-KIT | |
| Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R) | |
| Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE) | |
| Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) | |
| Translocation of ZAP-70 to Immunological synapse | |
| Uptake and function of anthrax toxins | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation | |
| Xenobiotics |
No pre-computed analogs available. Try a structural similarity search.