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BDBM50215746 6-methoxy-2-(4-(2-(5-methoxypyridin-3-yl)vinyl)-1H-pyrazol-3-yl)-1H-benzo[d]imidazole::CHEMBL245770

SMILES: COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cncc(OC)c1

InChI Key: InChIKey=USLJLFIVPBIWSH-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50215746   
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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50215746
PNG
(6-methoxy-2-(4-(2-(5-methoxypyridin-3-yl)vinyl)-1H...)
Show SMILES COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cncc(OC)c1 |w:17.20|
Show InChI InChI=1S/C19H17N5O2/c1-25-14-5-6-16-17(8-14)23-19(22-16)18-13(10-21-24-18)4-3-12-7-15(26-2)11-20-9-12/h3-11H,1-2H3,(H,21,24)(H,22,23)
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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 1.20E+4n/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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50215746
PNG
(6-methoxy-2-(4-(2-(5-methoxypyridin-3-yl)vinyl)-1H...)
Show SMILES COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cncc(OC)c1 |w:17.20|
Show InChI InChI=1S/C19H17N5O2/c1-25-14-5-6-16-17(8-14)23-19(22-16)18-13(10-21-24-18)4-3-12-7-15(26-2)11-20-9-12/h3-11H,1-2H3,(H,21,24)(H,22,23)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 650n/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
Aurora kinase A


(Homo sapiens (Human))
BDBM50215746
PNG
(6-methoxy-2-(4-(2-(5-methoxypyridin-3-yl)vinyl)-1H...)
Show SMILES COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cncc(OC)c1 |w:17.20|
Show InChI InChI=1S/C19H17N5O2/c1-25-14-5-6-16-17(8-14)23-19(22-16)18-13(10-21-24-18)4-3-12-7-15(26-2)11-20-9-12/h3-11H,1-2H3,(H,21,24)(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 400n/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