BDBM50204719 4-(6-(((1r,4r)-4-hydroxycyclohexyl)carbamoyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)benzoic acid::CHEMBL242523

SMILES: O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C(O)=O)c1

InChI Key: InChIKey=IZDSHDSXSNHJNL-IYARVYRRSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50204719   

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))	BDBM50204719 (4-(6-(((1r,4r)-4-hydroxycyclohexyl)carbamoyl)-1,4-...) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C(O)=O)c1 |wU:4.7,wD:1.0,(16.94,-33.49,;18.28,-32.72,;19.61,-33.49,;20.95,-32.71,;20.93,-31.18,;19.6,-30.41,;18.28,-31.18,;22.26,-30.4,;23.59,-31.16,;23.6,-32.7,;24.92,-30.39,;24.92,-28.84,;26.24,-28.06,;27.58,-28.82,;27.59,-30.37,;29.07,-30.84,;29.97,-29.59,;31.45,-29.1,;31.44,-27.54,;29.96,-27.06,;29.05,-28.33,;32.7,-29.99,;32.54,-31.52,;33.79,-32.42,;35.2,-31.79,;35.34,-30.25,;34.09,-29.36,;36.45,-32.69,;37.85,-32.05,;36.3,-34.22,;26.26,-31.15,)| Show InChI InChI=1S/C24H23N3O4/c28-18-8-6-17(7-9-18)25-23(29)15-5-10-19-16(11-15)12-20-21(26-27-22(19)20)13-1-3-14(4-2-13)24(30)31/h1-5,10-11,17-18,28H,6-9,12H2,(H,25,29)(H,26,27)(H,30,31)/t17-,18-	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	n/a	n/a	>5.90E+4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antiproliferative activity against human SW620 cells by soft agar assay				Bioorg Med Chem 15: 2759-67 (2007) Article DOI: 10.1016/j.bmc.2007.01.012 BindingDB Entry DOI: 10.7270/Q2XS5V22
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50204719 (4-(6-(((1r,4r)-4-hydroxycyclohexyl)carbamoyl)-1,4-...) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C(O)=O)c1 |wU:4.7,wD:1.0,(16.94,-33.49,;18.28,-32.72,;19.61,-33.49,;20.95,-32.71,;20.93,-31.18,;19.6,-30.41,;18.28,-31.18,;22.26,-30.4,;23.59,-31.16,;23.6,-32.7,;24.92,-30.39,;24.92,-28.84,;26.24,-28.06,;27.58,-28.82,;27.59,-30.37,;29.07,-30.84,;29.97,-29.59,;31.45,-29.1,;31.44,-27.54,;29.96,-27.06,;29.05,-28.33,;32.7,-29.99,;32.54,-31.52,;33.79,-32.42,;35.2,-31.79,;35.34,-30.25,;34.09,-29.36,;36.45,-32.69,;37.85,-32.05,;36.3,-34.22,;26.26,-31.15,)| Show InChI InChI=1S/C24H23N3O4/c28-18-8-6-17(7-9-18)25-23(29)15-5-10-19-16(11-15)12-20-21(26-27-22(19)20)13-1-3-14(4-2-13)24(30)31/h1-5,10-11,17-18,28H,6-9,12H2,(H,25,29)(H,26,27)(H,30,31)/t17-,18-	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation				Bioorg Med Chem 15: 2759-67 (2007) Article DOI: 10.1016/j.bmc.2007.01.012 BindingDB Entry DOI: 10.7270/Q2XS5V22
					More data for this Ligand-Target Pair				3D Structure (docked)