Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50201794'   

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))	BDBM50201794 (CHEMBL3897445) Show SMILES CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)NCCCCNC(N)=N)C(=O)N[C@H]1CCCN(C1O)C(N)=N |r| Show InChI InChI=1S/C20H40N10O5/c1-11(2)14(16(33)27-12-6-5-9-30(17(12)34)19(23)24)29-15(32)13(10-31)28-20(35)26-8-4-3-7-25-18(21)22/h11-14,17,31,34H,3-10H2,1-2H3,(H3,23,24)(H,27,33)(H,29,32)(H4,21,22,25)(H2,26,28,35)/t12-,13-,14-,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of British Columbia Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant cathepsin K using Z-FR-MCA fluorogenic substrate by Handerson plot analysis				J Nat Prod 79: 1962-70 (2016) Article DOI: 10.1021/acs.jnatprod.6b00215 BindingDB Entry DOI: 10.7270/Q2F76FHF
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