Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM25138'   

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))	BDBM25138 (2-cyano-pyrropyrimidine, 7d | 7-(2-cyclopentylethy...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCC2)C#N)cc1 Show InChI InChI=1S/C27H32N6O2/c1-20(34)31-12-14-32(15-13-31)23-6-8-25(9-7-23)35-19-24-16-22-18-29-26(17-28)30-27(22)33(24)11-10-21-4-2-3-5-21/h6-9,16,18,21H,2-5,10-15,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
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