Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM100305'   

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))	BDBM100305 (US8501744, 30) Show SMILES CC(C)[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(cc1)N1CCN(C)CC1)C1CCCC1 |r| Show InChI InChI=1S/C28H40N4O4/c1-18(2)22-16-32(25-23(33)17-36-26(22)25)28(35)24(19-6-4-5-7-19)29-27(34)20-8-10-21(11-9-20)31-14-12-30(3)13-15-31/h8-11,18-19,22,24-26H,4-7,12-17H2,1-3H3,(H,29,34)/t22-,24+,25-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amura Therapeutics, Limited US Patent					Assay Description In vitro cathepsin inhibition assay.				US Patent US8501744 (2013) BindingDB Entry DOI: 10.7270/Q2D7992S
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