Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM455207'   

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
Plasma kallikrein (Homo sapiens (Human))	BDBM455207 (US10730874, Compound I-222) Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(CC4=CC5C=CC(Cl)=CC5N4)nn3)c12 |c:21,24,t:18| Show InChI InChI=1S/C20H16Cl2FN7O/c21-12-2-1-11-5-13(26-15(11)6-12)8-30-9-17(27-28-30)20(31)24-7-16-19-18(23)14(22)3-4-29(19)10-25-16/h1-6,9-11,15,26H,7-8H2,(H,24,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a
Shire Human Genetic Therapies, Inc. US Patent					Assay Description Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...				US Patent US10730874 (2020) BindingDB Entry DOI: 10.7270/Q2RN3BXC
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