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SMILES: COc1cc-2c(Cc3c-2[nH]nc3-c2ccc(cc2)-c2ccc(O)c(c2)C#N)cc1C(=O)NCc1ccccn1

InChI Key: InChIKey=BUHXWVNKDCRSGV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50212504   
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))		BDBM50212504
PNG
(3-(3'-cyano-4'-hydroxy-biphenyl-4-yl)-7-methoxy-1,...)
Show SMILES COc1cc-2c(Cc3c-2[nH]nc3-c2ccc(cc2)-c2ccc(O)c(c2)C#N)cc1C(=O)NCc1ccccn1
Show InChI InChI=1S/C31H23N5O3/c1-39-28-15-24-21(13-25(28)31(38)34-17-23-4-2-3-11-33-23)14-26-29(35-36-30(24)26)19-7-5-18(6-8-19)20-9-10-27(37)22(12-20)16-32/h2-13,15,37H,14,17H2,1H3,(H,34,38)(H,35,36)
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Article
PubMed
n/an/a 9.09E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins

Bioorg Med Chem Lett 17: 3618-23 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.055
BindingDB Entry DOI: 10.7270/Q2DR2V6Q
More data for this
Ligand-Target Pair