Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50152986'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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
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