Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Procathepsin L' and Ligand = 'BDBM19557'   

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))	BDBM19557 ((2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-met...) Show SMILES COc1ccc(NCCNC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)c2cccc(C)c2)cc1 |r| Show InChI InChI=1S/C27H28F3N3O3/c1-18-4-3-5-20(16-18)25(34)33-24(17-19-6-8-21(9-7-19)27(28,29)30)26(35)32-15-14-31-22-10-12-23(36-2)13-11-22/h3-13,16,24,31H,14-15,17H2,1-2H3,(H,32,35)(H,33,34)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 15: 4979-84 (2005) Article DOI: 10.1016/j.bmcl.2005.08.017 BindingDB Entry DOI: 10.7270/Q2ZG6QJ8
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