BDBM50204726 2-(4-(6-(((1s,4s)-4-methylcyclohexylamino)methyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenyl)acetic acid::CHEMBL438329

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

InChI Key: InChIKey=BTBLVKQZYNTQOX-NBEIKUQISA-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 = 50204726   

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))	BDBM50204726 (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(O)=O)cc2)c1 |wU:4.7,1.0,(-8.65,-36.79,;-7.31,-36.02,;-7.29,-34.48,;-5.97,-33.72,;-4.64,-34.5,;-4.65,-36.03,;-5.98,-36.79,;-3.3,-33.73,;-1.98,-34.5,;-.64,-33.73,;-.63,-32.19,;.69,-31.42,;2.02,-32.18,;2.03,-33.73,;3.5,-34.21,;4.41,-32.97,;5.89,-32.48,;5.89,-30.93,;4.41,-30.45,;3.5,-31.7,;7.14,-33.38,;6.98,-34.92,;8.21,-35.82,;9.62,-35.2,;10.87,-36.09,;12.27,-35.46,;13.52,-36.36,;12.42,-33.93,;9.78,-33.66,;8.53,-32.76,;.7,-34.5,)| Show InChI InChI=1S/C26H29N3O2/c1-16-2-9-21(10-3-16)27-15-18-6-11-22-20(12-18)14-23-25(28-29-26(22)23)19-7-4-17(5-8-19)13-24(30)31/h4-8,11-12,16,21,27H,2-3,9-10,13-15H2,1H3,(H,28,29)(H,30,31)/t16-,21+	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	6.47E+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				3D Structure (docked)