Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50280489'   

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))	BDBM50280489 ((S)-2-[(S)-3-(4-Methoxy-phenyl)-2-(3-methyl-butyry...) Show SMILES CCC[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC(C)C)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)CN |r| Show InChI InChI=1S/C31H48F2N4O5/c1-5-9-24(29(40)37-25(28(39)31(32,33)19-34)17-21-10-7-6-8-11-21)36-30(41)26(35-27(38)16-20(2)3)18-22-12-14-23(42-4)15-13-22/h12-15,20-21,24-26H,5-11,16-19,34H2,1-4H3,(H,35,38)(H,36,41)(H,37,40)/t24-,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required to inhibit the enzyme cathepsin				Bioorg Med Chem Lett 2: 651-654 (1992) Article DOI: 10.1016/S0960-894X(00)80383-2 BindingDB Entry DOI: 10.7270/Q2KP822J
					More data for this Ligand-Target Pair