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BDBM50215747 5-(2-(3-(6-methoxy-1H-benzo[d]imidazol-2-yl)-1H-pyrazol-4-yl)vinyl)nicotinonitrile::CHEMBL395393

SMILES: COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cncc(c1)C#N

InChI Key: InChIKey=KKTHQEGRHGWTAG-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50215747   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50215747
PNG
(5-(2-(3-(6-methoxy-1H-benzo[d]imidazol-2-yl)-1H-py...)
Show SMILES COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cncc(c1)C#N |w:17.20|
Show InChI InChI=1S/C19H14N6O/c1-26-15-4-5-16-17(7-15)24-19(23-16)18-14(11-22-25-18)3-2-12-6-13(8-20)10-21-9-12/h2-7,9-11H,1H3,(H,22,25)(H,23,24)
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Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 17: 4557-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.092
BindingDB Entry DOI: 10.7270/Q2DB81JD
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50215747
PNG
(5-(2-(3-(6-methoxy-1H-benzo[d]imidazol-2-yl)-1H-py...)
Show SMILES COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cncc(c1)C#N |w:17.20|
Show InChI InChI=1S/C19H14N6O/c1-26-15-4-5-16-17(7-15)24-19(23-16)18-14(11-22-25-18)3-2-12-6-13(8-20)10-21-9-12/h2-7,9-11H,1H3,(H,22,25)(H,23,24)
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antibodypedia
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CHEMBL
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PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of HER2


Bioorg Med Chem Lett 17: 4557-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.092
BindingDB Entry DOI: 10.7270/Q2DB81JD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50215747
PNG
(5-(2-(3-(6-methoxy-1H-benzo[d]imidazol-2-yl)-1H-py...)
Show SMILES COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cncc(c1)C#N |w:17.20|
Show InChI InChI=1S/C19H14N6O/c1-26-15-4-5-16-17(7-15)24-19(23-16)18-14(11-22-25-18)3-2-12-6-13(8-20)10-21-9-12/h2-7,9-11H,1H3,(H,22,25)(H,23,24)
PDB
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NCI pathway
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KEGG

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UniChem

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Article
PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A


Bioorg Med Chem Lett 17: 4557-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.092
BindingDB Entry DOI: 10.7270/Q2DB81JD
More data for this
Ligand-Target Pair