Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50161337'   

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))	BDBM50161337 (N-[1-((S)-(S)-4-Benzoyl-6-(S)-oxo-hexahydro-pyrrol...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N(C)C)C(=O)N1CCC2[C@H]1C(=O)CN2C(=O)c1ccccc1 Show InChI InChI=1S/C28H34N4O4/c1-18(2)16-22(29-26(34)19-10-12-21(13-11-19)30(3)4)28(36)31-15-14-23-25(31)24(33)17-32(23)27(35)20-8-6-5-7-9-20/h5-13,18,22-23,25H,14-17H2,1-4H3,(H,29,34)/t22-,23?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amura Therapeutics Limited, Inc Curated by ChEMBL					Assay Description Binding affinity against human cathepsin K				Bioorg Med Chem Lett 15: 1327-31 (2005) Article DOI: 10.1016/j.bmcl.2005.01.022 BindingDB Entry DOI: 10.7270/Q2SB46HX
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