Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50121551'   

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))	BDBM50121551 (CHEMBL150574 | Morpholine-4-carboxylic acid [1-(1-...) Show SMILES CCCC[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C#N Show InChI InChI=1S/C21H30N4O3/c1-2-3-9-19(24-21(27)25-12-14-28-15-13-25)20(26)23-18(16-22)11-10-17-7-5-4-6-8-17/h4-8,18-19H,2-3,9-15H2,1H3,(H,23,26)(H,24,27)/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121551 (CHEMBL150574 | Morpholine-4-carboxylic acid [1-(1-...) Show SMILES CCCC[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C#N Show InChI InChI=1S/C21H30N4O3/c1-2-3-9-19(24-21(27)25-12-14-28-15-13-25)20(26)23-18(16-22)11-10-17-7-5-4-6-8-17/h4-8,18-19H,2-3,9-15H2,1H3,(H,23,26)(H,24,27)/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Equilibrium dissocation constant determined using fluorescence based competitive binding assay towards Cathepsin S				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair