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BDBM50325166 2-(4-(5-methyl-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinolin-8-yl)phenyl)acetonitrile::CHEMBL1223389

SMILES: Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc(CC#N)cc1

InChI Key: InChIKey=UUDDIRQFAAVPIH-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50325166   
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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50325166
PNG
(2-(4-(5-methyl-1-oxo-1,2-dihydro-[1,2,4]triazolo[4...)
Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc(CC#N)cc1
Show InChI InChI=1S/C19H14N4O/c1-12-10-18-21-22-19(24)23(18)17-11-15(6-7-16(12)17)14-4-2-13(3-5-14)8-9-20/h2-7,10-11H,8H2,1H3,(H,22,24)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 210n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5133-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.015
BindingDB Entry DOI: 10.7270/Q2FF3SJZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)