Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50221221'   

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))	BDBM50221221 (CHEMBL397622 | ethyl 3-(1-(2-hydroxy-3-(5-(methyls...) Show SMILES CCOC(=O)c1ccc2[nH]cc(C3CCN(CC(O)Cn4nc(c5CN(CCc45)S(C)(=O)=O)-c4ccc(cc4)C(F)(F)F)CC3)c2c1 |w:17.17| Show InChI InChI=1S/C33H38F3N5O5S/c1-3-46-32(43)23-6-9-29-26(16-23)27(17-37-29)21-10-13-39(14-11-21)18-25(42)19-41-30-12-15-40(47(2,44)45)20-28(30)31(38-41)22-4-7-24(8-5-22)33(34,35)36/h4-9,16-17,21,25,37,42H,3,10-15,18-20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 17: 5525-8 (2007) Article DOI: 10.1016/j.bmcl.2007.08.038 BindingDB Entry DOI: 10.7270/Q2ST7PKK
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50221221 (CHEMBL397622 | ethyl 3-(1-(2-hydroxy-3-(5-(methyls...) Show SMILES CCOC(=O)c1ccc2[nH]cc(C3CCN(CC(O)Cn4nc(c5CN(CCc45)S(C)(=O)=O)-c4ccc(cc4)C(F)(F)F)CC3)c2c1 |w:17.17| Show InChI InChI=1S/C33H38F3N5O5S/c1-3-46-32(43)23-6-9-29-26(16-23)27(17-37-29)21-10-13-39(14-11-21)18-25(42)19-41-30-12-15-40(47(2,44)45)20-28(30)31(38-41)22-4-7-24(8-5-22)33(34,35)36/h4-9,16-17,21,25,37,42H,3,10-15,18-20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of cathepsin S in human JY cells by invariant chain degradation assay				Bioorg Med Chem Lett 17: 5525-8 (2007) Article DOI: 10.1016/j.bmcl.2007.08.038 BindingDB Entry DOI: 10.7270/Q2ST7PKK
					More data for this Ligand-Target Pair