| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2009 | 28 | Yes |
Popular Name: ENMD-2076 ENMD-2076
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1291074-87-7 , 934353-76-1 , [1291074-87-7]
| 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) | 3.67 | 12.25 | -47.89 | 3 | 7 | 1 | 74 | 376.488 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.67 | 9.89 | -10.18 | 2 | 7 | 0 | 73 | 375.48 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.67 | 12.23 | -88.76 | 4 | 7 | 2 | 75 | 377.496 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.67 | 9.99 | -87.13 | 4 | 7 | 2 | 75 | 377.496 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Flt, Aurora Kinase, VEGFR | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABL1-1-E | Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic | Eukaryotes | 81 | 0.35 | Binding ≤ 10μM |
| AURKA-3-E | Serine/threonine-protein Kinase Aurora-A (cluster #3 Of 3), Eukaryotic | Eukaryotes | 14 | 0.39 | Binding ≤ 10μM |
| AURKB-1-E | Serine/threonine-protein Kinase Aurora-B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 290 | 0.33 | Binding ≤ 10μM |
| FAK1-1-E | Focal Adhesion Kinase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 55 | 0.36 | Binding ≤ 10μM |
| FGFR1-1-E | Fibroblast Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 93 | 0.35 | Binding ≤ 10μM |
| FLT3-1-E | Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.43 | Binding ≤ 10μM |
| KIT-1-E | Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 120 | 0.35 | Binding ≤ 10μM |
| PGFRA-1-E | Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic | Eukaryotes | 56 | 0.36 | Binding ≤ 10μM |
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 20 | 0.38 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 36 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FGFR1_HUMAN | P11362 | Fibroblast Growth Factor Receptor 1, Human | 93 | 0.35 | Binding ≤ 1μM |
| FAK1_HUMAN | Q05397 | Focal Adhesion Kinase 1, Human | 55 | 0.36 | Binding ≤ 1μM |
| PGFRA_HUMAN | P16234 | Platelet-derived Growth Factor Receptor Alpha, Human | 56 | 0.36 | Binding ≤ 1μM |
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 14 | 0.39 | Binding ≤ 1μM |
| AURKB_HUMAN | Q96GD4 | Serine/threonine-protein Kinase Aurora-B, Human | 290 | 0.33 | Binding ≤ 1μM |
| KIT_HUMAN | P10721 | Stem Cell Growth Factor Receptor, Human | 120 | 0.35 | Binding ≤ 1μM |
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 295 | 0.33 | Binding ≤ 1μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 3 | 0.43 | Binding ≤ 1μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 20 | 0.38 | Binding ≤ 1μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 36 | 0.37 | Binding ≤ 1μM |
| FGFR1_HUMAN | P11362 | Fibroblast Growth Factor Receptor 1, Human | 93 | 0.35 | Binding ≤ 10μM |
| FAK1_HUMAN | Q05397 | Focal Adhesion Kinase 1, Human | 55 | 0.36 | Binding ≤ 10μM |
| PGFRA_HUMAN | P16234 | Platelet-derived Growth Factor Receptor Alpha, Human | 56 | 0.36 | Binding ≤ 10μM |
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 14 | 0.39 | Binding ≤ 10μM |
| AURKB_HUMAN | Q96GD4 | Serine/threonine-protein Kinase Aurora-B, Human | 290 | 0.33 | Binding ≤ 10μM |
| KIT_HUMAN | P10721 | Stem Cell Growth Factor Receptor, Human | 120 | 0.35 | Binding ≤ 10μM |
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 295 | 0.33 | Binding ≤ 10μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 3 | 0.43 | Binding ≤ 10μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 20 | 0.38 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 36 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins | |
| Apoptotic cleavage of cellular proteins | |
| CDO in myogenesis | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| DCC mediated attractive signaling | |
| Downstream signal transduction | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| Factors involved in megakaryocyte development and platelet production | |
| GRB2:SOS provides linkage to MAPK signaling for Integrins | |
| Integrin alphaIIb beta3 signaling | |
| Integrin cell surface interactions | |
| Mitotic Prometaphase | |
| NCAM signaling for neurite out-growth | |
| Netrin mediated repulsion signals | |
| Neurophilin interactions with VEGF and VEGFR | |
| p130Cas linkage to MAPK signaling for integrins | |
| PIP3 activates AKT signaling | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of KIT signaling | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Resolution of Sister Chromatid Cohesion | |
| Role of Abl in Robo-Slit signaling | |
| Separation of Sister Chromatids | |
| Signal regulatory protein (SIRP) family interactions | |
| Signaling by activated point mutants of FGFR1 | |
| Signaling by ERBB2 | |
| Signaling by FGFR mutants | |
| Signaling by PDGF | |
| Signaling by SCF-KIT | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation |
No pre-computed analogs available. Try a structural similarity search.