BDBM50204727 (4-(6-(((1r,4r)-4-methylcyclohexylamino)methyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenyl)methanol::CHEMBL243817

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

InChI Key: InChIKey=BAVWENZTPIFPCC-OQIWPSSASA-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 = 50204727   

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))	BDBM50204727 ((4-(6-(((1r,4r)-4-methylcyclohexylamino)methyl)-1,...) Show SMILES C[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(CO)cc2)c1 |wU:4.7,wD:1.0,(-8.3,-29.74,;-6.96,-28.97,;-5.63,-29.75,;-4.29,-28.98,;-4.28,-27.45,;-5.62,-26.67,;-6.95,-27.43,;-2.95,-26.68,;-1.62,-27.45,;-.28,-26.68,;-.28,-25.14,;1.05,-24.37,;2.38,-25.13,;2.38,-26.68,;3.86,-27.16,;4.77,-25.91,;6.25,-25.43,;6.25,-23.88,;4.77,-23.39,;3.85,-24.65,;7.49,-26.34,;7.33,-27.87,;8.57,-28.77,;9.98,-28.15,;11.22,-29.05,;12.63,-28.43,;10.14,-26.61,;8.89,-25.71,;1.05,-27.45,)| Show InChI InChI=1S/C25H29N3O/c1-16-2-9-21(10-3-16)26-14-18-6-11-22-20(12-18)13-23-24(27-28-25(22)23)19-7-4-17(15-29)5-8-19/h4-8,11-12,16,21,26,29H,2-3,9-10,13-15H2,1H3,(H,27,28)/t16-,21-	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	790	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)