BDBM50204717 2-(4-(6-(((1s,4s)-4-methylcyclohexylamino)methyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenyl)acetonitrile::CHEMBL242324

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

InChI Key: InChIKey=RVPBZENCLAAXGH-LMTLIKQPSA-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 = 50204717   

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))	BDBM50204717 (2-(4-(6-(((1s,4s)-4-methylcyclohexylamino)methyl)-...) Show SMILES C[C@H]1CC[C@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(CC#N)cc2)c1 |wU:4.7,1.0,(20.38,-23.67,;21.71,-22.91,;21.73,-21.37,;23.05,-20.61,;24.39,-21.39,;24.38,-22.92,;23.05,-23.67,;25.72,-20.62,;27.05,-21.39,;28.38,-20.62,;28.39,-19.07,;29.71,-18.31,;31.05,-19.07,;31.05,-20.62,;32.52,-21.1,;33.44,-19.85,;34.91,-19.37,;34.92,-17.82,;33.43,-17.34,;32.52,-18.59,;36.16,-20.27,;36,-21.8,;37.24,-22.71,;38.64,-22.08,;39.89,-22.98,;41.29,-22.35,;42.69,-21.72,;38.8,-20.55,;37.55,-19.65,;29.72,-21.39,)| Show InChI InChI=1S/C26H28N4/c1-17-2-9-22(10-3-17)28-16-19-6-11-23-21(14-19)15-24-25(29-30-26(23)24)20-7-4-18(5-8-20)12-13-27/h4-8,11,14,17,22,28H,2-3,9-10,12,15-16H2,1H3,(H,29,30)/t17-,22+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+3	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