Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50106075'   

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))	BDBM50106075 ((S)-1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-ethyl]-pi...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCCN1CC(=O)c1cc(OC)c(OC)c(OC)c1)\C=C\c1ccccc1 Show InChI InChI=1S/C30H40N2O5/c1-6-21(2)24(16-15-22-12-8-7-9-13-22)31-30(34)25-14-10-11-17-32(25)20-26(33)23-18-27(35-3)29(37-5)28(19-23)36-4/h7-9,12-13,15-16,18-19,21,24-25H,6,10-11,14,17,20H2,1-5H3,(H,31,34)/b16-15+/t21-,24+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory activity of the compound against cathepsin K				Bioorg Med Chem Lett 11: 2951-4 (2001) BindingDB Entry DOI: 10.7270/Q23R0S5W
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50106075 ((S)-1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-ethyl]-pi...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCCN1CC(=O)c1cc(OC)c(OC)c(OC)c1)\C=C\c1ccccc1 Show InChI InChI=1S/C30H40N2O5/c1-6-21(2)24(16-15-22-12-8-7-9-13-22)31-30(34)25-14-10-11-17-32(25)20-26(33)23-18-27(35-3)29(37-5)28(19-23)36-4/h7-9,12-13,15-16,18-19,21,24-25H,6,10-11,14,17,20H2,1-5H3,(H,31,34)/b16-15+/t21-,24+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory activity against cathepsin K				Bioorg Med Chem Lett 11: 2951-4 (2001) BindingDB Entry DOI: 10.7270/Q23R0S5W
					More data for this Ligand-Target Pair