Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Procathepsin L' and Ligand = 'BDBM19801'   

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
Procathepsin L (Homo sapiens (Human))	BDBM19801 (benzyl N-[(1S)-3-methyl-1-[(2-oxocyclohexyl)carbam...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCCC1=O |r| Show InChI InChI=1S/C20H28N2O4/c1-14(2)12-17(19(24)21-16-10-6-7-11-18(16)23)22-20(25)26-13-15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3,(H,21,24)(H,22,25)/t16?,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...				J Med Chem 44: 725-36 (2001) Article DOI: 10.1021/jm000320t BindingDB Entry DOI: 10.7270/Q2J67F6C
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