Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50318882'   

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))	BDBM50318882 (4-(2-(4-methylpiperazin-1-yl)thiazol-4-yl)-N-(1-((...) Show SMILES CN1CCN(CC1)c1nc(cs1)-c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)N[C@H]1[C@H](NC1=O)Oc1ccccc1 |r| Show InChI InChI=1S/C31H36N6O4S/c1-36-16-18-37(19-17-36)30-32-24(20-42-30)21-10-12-22(13-11-21)26(38)35-31(14-6-3-7-15-31)29(40)33-25-27(39)34-28(25)41-23-8-4-2-5-9-23/h2,4-5,8-13,20,25,28H,3,6-7,14-19H2,1H3,(H,33,40)(H,34,39)(H,35,38)/t25-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of cathepsin K				J Med Chem 53: 4332-53 (2010) Article DOI: 10.1021/jm9018756 BindingDB Entry DOI: 10.7270/Q21R6QPF
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