BDBM50212484 4'-{6-[(4-hydroxy-cyclohexylamino)-methyl]-7-methoxy-1,4-dihydro-indeno[1,2-c]pyrazol-3-yl}-biphenyl-4-ol::CHEMBL234871

SMILES: COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)cc1CN[C@H]1CC[C@H](O)CC1

InChI Key: InChIKey=YNDLLIVIUMELFL-ALOJWSFFSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50212484   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212484 (4'-{6-[(4-hydroxy-cyclohexylamino)-methyl]-7-metho...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)cc1CN[C@H]1CC[C@H](O)CC1 |wU:29.33,wD:32.37,(19.25,-18.66,;19.25,-20.2,;20.59,-20.97,;21.91,-20.2,;23.25,-20.96,;23.25,-22.51,;24.72,-22.99,;25.64,-21.74,;27.12,-21.26,;27.12,-19.71,;25.64,-19.22,;24.72,-20.48,;28.36,-22.17,;28.19,-23.7,;29.44,-24.6,;30.85,-23.98,;31.01,-22.44,;29.76,-21.54,;32.09,-24.88,;31.93,-26.41,;33.17,-27.32,;34.58,-26.69,;35.83,-27.59,;34.74,-25.15,;33.49,-24.25,;21.92,-23.28,;20.58,-22.51,;19.25,-23.28,;17.92,-22.51,;16.58,-23.28,;16.59,-24.81,;15.25,-25.58,;13.92,-24.8,;12.58,-25.56,;13.93,-23.26,;15.26,-22.5,)| Show InChI InChI=1S/C30H31N3O3/c1-36-28-16-26-21(14-22(28)17-31-23-8-12-25(35)13-9-23)15-27-29(32-33-30(26)27)20-4-2-18(3-5-20)19-6-10-24(34)11-7-19/h2-7,10-11,14,16,23,25,31,34-35H,8-9,12-13,15,17H2,1H3,(H,32,33)/t23-,25-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/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
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