Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50395226'   

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 K (Homo sapiens (Human))	BDBM50395226 (CHEMBL2164676) Show SMILES O=C(NCC#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1ccccc1 |r| Show InChI InChI=1S/C20H26N4O2/c21-10-11-22-19(25)17-8-4-5-9-18(17)20(26)24-14-12-23(13-15-24)16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-9,11-15H2,(H,22,25)/t17-,18-/m1/s1	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	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395226 (CHEMBL2164676) Show SMILES O=C(NCC#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1ccccc1 |r| Show InChI InChI=1S/C20H26N4O2/c21-10-11-22-19(25)17-8-4-5-9-18(17)20(26)24-14-12-23(13-15-24)16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-9,11-15H2,(H,22,25)/t17-,18-/m1/s1	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	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair