Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM19682'   

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))	BDBM19682 ((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...) Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C26H38F3N3O5/c1-18(2)22(17-30-20-8-10-21(11-9-20)37-26(27,28)29)31-25(34)36-23(16-19-6-4-3-5-7-19)24(33)32-12-14-35-15-13-32/h8-11,18-19,22-23,30H,3-7,12-17H2,1-2H3,(H,31,34)/t22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	8	-48.1	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 16: 5107-11 (2006) Article DOI: 10.1016/j.bmcl.2006.07.032 BindingDB Entry DOI: 10.7270/Q2FF3QM1
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