BDBM50204718 (1r,4r)-4-methyl-N-((3-p-tolyl-1,4-dihydroindeno[1,2-c]pyrazol-6-yl)methyl)cyclohexanamine::CHEMBL395307

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

InChI Key: InChIKey=GXUAMVYPUMPBMN-CYWCHRQTSA-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 = 50204718   

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))	BDBM50204718 ((1r,4r)-4-methyl-N-((3-p-tolyl-1,4-dihydroindeno[1...) Show SMILES C[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(C)cc2)c1 |wU:4.7,wD:1.0,(17.31,-30.76,;18.65,-30,;19.98,-30.77,;21.32,-30.01,;21.33,-28.47,;19.99,-27.7,;18.66,-28.46,;22.66,-27.71,;23.99,-28.48,;25.33,-27.71,;25.33,-26.16,;26.66,-25.39,;27.99,-26.16,;27.99,-27.71,;29.47,-28.19,;30.38,-26.94,;31.86,-26.46,;31.86,-24.9,;30.38,-24.42,;29.47,-25.68,;33.1,-27.36,;32.94,-28.89,;34.18,-29.8,;35.59,-29.17,;36.84,-30.08,;35.75,-27.64,;34.5,-26.74,;26.66,-28.48,)| Show InChI InChI=1S/C25H29N3/c1-16-3-8-19(9-4-16)24-23-14-20-13-18(7-12-22(20)25(23)28-27-24)15-26-21-10-5-17(2)6-11-21/h3-4,7-9,12-13,17,21,26H,5-6,10-11,14-15H2,1-2H3,(H,27,28)/t17-,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	966	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)