Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM19578'   

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))	BDBM19578 ((2S)-2-{[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]f...) Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)C2CCN(CC2)c2ncc(Br)cn2)cc1 |r| Show InChI InChI=1S/C28H39BrN6O3/c1-38-24-9-7-23(8-10-24)30-13-14-31-27(37)25(17-20-5-3-2-4-6-20)34-26(36)21-11-15-35(16-12-21)28-32-18-22(29)19-33-28/h7-10,18-21,25,30H,2-6,11-17H2,1H3,(H,31,37)(H,34,36)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	107	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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