Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Procathepsin L' and Ligand = 'BDBM210831'   

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))	BDBM210831 (US9290467, 1) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1Cc2ccc(OC\C=C\COc3ccccc3C(=O)N1)cc2 |r,t:17| Show InChI InChI=1S/C24H23N3O4/c25-16-24(11-12-24)27-23(29)20-15-17-7-9-18(10-8-17)30-13-3-4-14-31-21-6-2-1-5-19(21)22(28)26-20/h1-10,20H,11-15H2,(H,26,28)(H,27,29)/b4-3+/t20-/m0/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	88.5	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 US9290467 (2016) BindingDB Entry DOI: 10.7270/Q2H130VZ
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