BDBM50212496 3-(4'-hydroxy-biphenyl-4-yl)-7-methoxy-1,4-dihydro-indeno[1,2-c]pyrazole-6-carboxylic acid (4-hydroxy-cyclohexyl)-amide::CHEMBL428196

SMILES: COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)cc1C(=O)N[C@H]1CC[C@H](O)CC1

InChI Key: InChIKey=IASXXYCNPMNGHR-AFARHQOCSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50212496   

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))	BDBM50212496 (3-(4'-hydroxy-biphenyl-4-yl)-7-methoxy-1,4-dihydro...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)cc1C(=O)N[C@H]1CC[C@H](O)CC1 |wU:30.34,wD:33.38,(18.38,-1.88,;18.38,-3.42,;19.72,-4.19,;21.04,-3.42,;22.38,-4.18,;22.38,-5.73,;23.86,-6.21,;24.77,-4.97,;26.25,-4.49,;26.25,-2.93,;24.77,-2.45,;23.85,-3.7,;27.5,-5.39,;27.33,-6.92,;28.57,-7.83,;29.98,-7.2,;30.14,-5.66,;28.89,-4.76,;31.22,-8.1,;31.06,-9.64,;32.31,-10.54,;33.71,-9.91,;34.96,-10.82,;33.87,-8.37,;32.62,-7.48,;21.05,-6.51,;19.71,-5.73,;18.38,-6.5,;18.38,-8.04,;17.05,-5.73,;15.71,-6.5,;15.72,-8.03,;14.38,-8.8,;13.05,-8.02,;11.71,-8.79,;13.06,-6.48,;14.39,-5.72,)| Show InChI InChI=1S/C30H29N3O4/c1-37-27-16-24-20(14-25(27)30(36)31-21-8-12-23(35)13-9-21)15-26-28(32-33-29(24)26)19-4-2-17(3-5-19)18-6-10-22(34)11-7-18/h2-7,10-11,14,16,21,23,34-35H,8-9,12-13,15H2,1H3,(H,31,36)(H,32,33)/t21-,23-	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	0.240	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
					More data for this Ligand-Target Pair				3D Structure (docked)