BDBM50204704 1-(4-(6-(((1r,4r)-4-methylcyclohexylamino)methyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenyl)propan-2-one::CHEMBL244231

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

InChI Key: InChIKey=VIVFMJXQMAQQKP-QBNMFFNISA-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 = 50204704   

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))	BDBM50204704 (1-(4-(6-(((1r,4r)-4-methylcyclohexylamino)methyl)-...) Show SMILES C[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(CC(C)=O)cc2)c1 |wU:4.7,wD:1.0,(-.88,-5.98,;.45,-5.22,;1.78,-5.99,;3.12,-5.23,;3.12,-3.7,;1.79,-2.92,;.46,-3.68,;4.46,-2.93,;5.79,-3.7,;7.13,-2.94,;7.13,-1.39,;8.45,-.62,;9.79,-1.39,;9.79,-2.94,;11.26,-3.41,;12.17,-2.16,;13.65,-1.68,;13.65,-.13,;12.18,.33,;11.26,-.9,;14.99,-2.42,;15.02,-3.96,;16.36,-4.7,;17.68,-3.91,;19.03,-4.65,;20.35,-3.86,;21.69,-4.6,;20.32,-2.32,;17.65,-2.37,;16.31,-1.63,;8.45,-3.71,)| Show InChI InChI=1S/C27H31N3O/c1-17-3-10-23(11-4-17)28-16-20-7-12-24-22(14-20)15-25-26(29-30-27(24)25)21-8-5-19(6-9-21)13-18(2)31/h5-9,12,14,17,23,28H,3-4,10-11,13,15-16H2,1-2H3,(H,29,30)/t17-,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	497	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