Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM331541'   

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))	BDBM331541 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...) Show SMILES O[C@H]1CO[C@@H]2[C@@H](Cl)CN([C@H]12)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1cnccn1)C1CCCCC1 |r| Show InChI InChI=1S/C23H27ClN4O4S/c24-14-11-28(20-16(29)12-32-21(14)20)23(31)19(13-4-2-1-3-5-13)27-22(30)18-7-6-17(33-18)15-10-25-8-9-26-15/h6-10,13-14,16,19-21,29H,1-5,11-12H2,(H,27,30)/t14-,16-,19-,20+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
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