BDBM50204698 4-{6-[(trans-4-hydroxy-cyclohexylamino)-methyl]-1,4-dihydro-indeno[1,2-c]pyrazol-3-yl}-benzoic acid::CHEMBL242521

SMILES: O[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C(O)=O)c1

InChI Key: InChIKey=UBWUSBASJVPSHE-WGSAOQKQSA-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 = 50204698   

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))	BDBM50204698 (4-{6-[(trans-4-hydroxy-cyclohexylamino)-methyl]-1,...) Show SMILES O[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C(O)=O)c1 |wU:4.7,wD:1.0,(15.95,-23.87,;17.28,-23.1,;18.62,-23.87,;19.95,-23.1,;19.93,-21.56,;18.61,-20.79,;17.28,-21.56,;21.26,-20.78,;22.6,-21.54,;23.93,-20.77,;23.92,-19.22,;25.24,-18.45,;26.58,-19.2,;26.59,-20.75,;28.07,-21.22,;28.98,-19.97,;30.46,-19.48,;30.45,-17.92,;28.96,-17.45,;28.06,-18.71,;31.7,-20.37,;31.55,-21.91,;32.8,-22.8,;34.2,-22.17,;34.35,-20.63,;33.1,-19.74,;35.45,-23.07,;36.85,-22.43,;35.3,-24.6,;25.27,-21.53,)| Show InChI InChI=1S/C24H25N3O3/c28-19-8-6-18(7-9-19)25-13-14-1-10-20-17(11-14)12-21-22(26-27-23(20)21)15-2-4-16(5-3-15)24(29)30/h1-5,10-11,18-19,25,28H,6-9,12-13H2,(H,26,27)(H,29,30)/t18-,19-	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))	BDBM50204698 (4-{6-[(trans-4-hydroxy-cyclohexylamino)-methyl]-1,...) Show SMILES O[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C(O)=O)c1 |wU:4.7,wD:1.0,(15.95,-23.87,;17.28,-23.1,;18.62,-23.87,;19.95,-23.1,;19.93,-21.56,;18.61,-20.79,;17.28,-21.56,;21.26,-20.78,;22.6,-21.54,;23.93,-20.77,;23.92,-19.22,;25.24,-18.45,;26.58,-19.2,;26.59,-20.75,;28.07,-21.22,;28.98,-19.97,;30.46,-19.48,;30.45,-17.92,;28.96,-17.45,;28.06,-18.71,;31.7,-20.37,;31.55,-21.91,;32.8,-22.8,;34.2,-22.17,;34.35,-20.63,;33.1,-19.74,;35.45,-23.07,;36.85,-22.43,;35.3,-24.6,;25.27,-21.53,)| Show InChI InChI=1S/C24H25N3O3/c28-19-8-6-18(7-9-19)25-13-14-1-10-20-17(11-14)12-21-22(26-27-23(20)21)15-2-4-16(5-3-15)24(29)30/h1-5,10-11,18-19,25,28H,6-9,12-13H2,(H,26,27)(H,29,30)/t18-,19-	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	6	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)