Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM19572'   

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))	BDBM19572 ((2S)-2-{[4-(3-chlorophenyl)phenyl]formamido}-3-cyc...) Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(cc2)-c2cccc(Cl)c2)cc1 |r| Show InChI InChI=1S/C31H36ClN3O3/c1-38-28-16-14-27(15-17-28)33-18-19-34-31(37)29(20-22-6-3-2-4-7-22)35-30(36)24-12-10-23(11-13-24)25-8-5-9-26(32)21-25/h5,8-17,21-22,29,33H,2-4,6-7,18-20H2,1H3,(H,34,37)(H,35,36)/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 15: 4979-84 (2005) Article DOI: 10.1016/j.bmcl.2005.08.017 BindingDB Entry DOI: 10.7270/Q2ZG6QJ8
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