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BDBM50215751 2-(4-(2-(pyridin-3-yl)vinyl)-1H-pyrazol-3-yl)-1H-imidazole-4-carbonitrile::CHEMBL394466

SMILES: N#Cc1cnc([nH]1)-c1n[nH]cc1C=Cc1cccnc1

InChI Key: InChIKey=QJUNJGLRELVJKL-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50215751   
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))
BDBM50215751
PNG
(2-(4-(2-(pyridin-3-yl)vinyl)-1H-pyrazol-3-yl)-1H-i...)
Show SMILES N#Cc1cnc([nH]1)-c1n[nH]cc1C=Cc1cccnc1 |w:13.15|
Show InChI InChI=1S/C14H10N6/c15-6-12-9-17-14(19-12)13-11(8-18-20-13)4-3-10-2-1-5-16-7-10/h1-5,7-9H,(H,17,19)(H,18,20)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
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))
BDBM50215751
PNG
(2-(4-(2-(pyridin-3-yl)vinyl)-1H-pyrazol-3-yl)-1H-i...)
Show SMILES N#Cc1cnc([nH]1)-c1n[nH]cc1C=Cc1cccnc1 |w:13.15|
Show InChI InChI=1S/C14H10N6/c15-6-12-9-17-14(19-12)13-11(8-18-20-13)4-3-10-2-1-5-16-7-10/h1-5,7-9H,(H,17,19)(H,18,20)
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>1.00E+4n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50215751
PNG
(2-(4-(2-(pyridin-3-yl)vinyl)-1H-pyrazol-3-yl)-1H-i...)
Show SMILES N#Cc1cnc([nH]1)-c1n[nH]cc1C=Cc1cccnc1 |w:13.15|
Show InChI InChI=1S/C14H10N6/c15-6-12-9-17-14(19-12)13-11(8-18-20-13)4-3-10-2-1-5-16-7-10/h1-5,7-9H,(H,17,19)(H,18,20)
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>1.00E+4n/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