Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM19667'   

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))	BDBM19667 ((2S)-2-(4-chlorophenyl)-N-[(2S)-3-methyl-1-{[4-(tr...) Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H31ClF3N3O4/c1-17(2)23(16-31-20-7-9-21(10-8-20)37-26(28,29)30)32-25(35)22(18-3-5-19(27)6-4-18)15-24(34)33-11-13-36-14-12-33/h3-10,17,22-23,31H,11-16H2,1-2H3,(H,32,35)/t22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	21	-45.6	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
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