Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50313464'   

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))	BDBM50313464 (4-propyl-6-(4-(trifluoromethyl)phenyl)pyrimidine-2...) Show SMILES CCCc1cc(nc(n1)C#N)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C15H12F3N3/c1-2-3-12-8-13(21-14(9-19)20-12)10-4-6-11(7-5-10)15(16,17)18/h4-8H,2-3H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50313464 (4-propyl-6-(4-(trifluoromethyl)phenyl)pyrimidine-2...) Show SMILES CCCc1cc(nc(n1)C#N)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C15H12F3N3/c1-2-3-12-8-13(21-14(9-19)20-12)10-4-6-11(7-5-10)15(16,17)18/h4-8H,2-3H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorescence assay				Bioorg Med Chem Lett 20: 1524-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.100 BindingDB Entry DOI: 10.7270/Q24X57ZH
					More data for this Ligand-Target Pair