Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50121541'   

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))	BDBM50121541 (CHEMBL346448 | Morpholine-4-carboxylic acid (1-{[c...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](COCc1ccccc1C)C#N Show InChI InChI=1S/C22H32N4O4/c1-16(2)12-20(25-22(28)26-8-10-29-11-9-26)21(27)24-19(13-23)15-30-14-18-7-5-4-6-17(18)3/h4-7,16,19-20H,8-12,14-15H2,1-3H3,(H,24,27)(H,25,28)/t19-,20+/m1/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	19	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))	BDBM50121541 (CHEMBL346448 | Morpholine-4-carboxylic acid (1-{[c...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](COCc1ccccc1C)C#N Show InChI InChI=1S/C22H32N4O4/c1-16(2)12-20(25-22(28)26-8-10-29-11-9-26)21(27)24-19(13-23)15-30-14-18-7-5-4-6-17(18)3/h4-7,16,19-20H,8-12,14-15H2,1-3H3,(H,24,27)(H,25,28)/t19-,20+/m1/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	3	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