Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Procathepsin L' and Ligand = 'BDBM240602'   

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))	BDBM240602 (US9409882, 7) Show SMILES COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Br)cc1F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H23BrClFN4O5S/c1-37-15-2-3-20(17(27)9-15)38(35,36)16-10-19(22(33)31-24(13-29)4-5-24)32(12-16)23(34)25(6-7-25)21-18(28)8-14(26)11-30-21/h2-3,8-9,11,16,19H,4-7,10,12H2,1H3,(H,31,33)/t16-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25.5	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US9409882 (2016) BindingDB Entry DOI: 10.7270/Q2B56HNF
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