Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Procathepsin L' and Ligand = 'BDBM240601'   

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))	BDBM240601 (US9409882, 6) Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1Cl |r| Show InChI InChI=1S/C26H22Cl2F4N4O5S/c27-14-7-18(29)21(34-10-14)25(5-6-25)23(38)36-11-16(9-19(36)22(37)35-24(12-33)3-4-24)42(39,40)20-2-1-15(8-17(20)28)41-13-26(30,31)32/h1-2,7-8,10,16,19H,3-6,9,11,13H2,(H,35,37)/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	44.5	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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