BDBM50152986 1-(3-(4-Chloro-phenyl)-1-{3-[4-(2-chloro-phenyl)-piperazin-1-yl]-2-hydroxy-propyl}-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl)-ethanone::CHEMBL189763

SMILES: CC(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCN(CC1)c1ccccc1Cl)-c1ccc(Cl)cc1

InChI Key: InChIKey=NENZRENNFBHTCG-UHFFFAOYSA-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 = 50152986   

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
Cathepsin S (Homo sapiens (Human))	BDBM50152986 (1-(3-(4-Chloro-phenyl)-1-{3-[4-(2-chloro-phenyl)-p...) Show SMILES CC(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCN(CC1)c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H31Cl2N5O2/c1-19(35)33-11-10-25-23(18-33)27(20-6-8-21(28)9-7-20)30-34(25)17-22(36)16-31-12-14-32(15-13-31)26-5-3-2-4-24(26)29/h2-9,22,36H,10-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against human cysteine protease cathepsin S				J Med Chem 47: 4799-801 (2004) Article DOI: 10.1021/jm0496133 BindingDB Entry DOI: 10.7270/Q28P6008
					More data for this Ligand-Target Pair