Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM455087'   

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))	BDBM455087 (US10730874, Compound I-108 | US11352356, Compound ...) Show SMILES Fc1c(Br)ccn2cnc(CNC(=O)c3cnn(Cc4cn5nc(ccc5n4)C4CC4)c3)c12 Show InChI InChI=1S/C22H18BrFN8O/c23-16-5-6-30-12-26-18(21(30)20(16)24)8-25-22(33)14-7-27-31(9-14)10-15-11-32-19(28-15)4-3-17(29-32)13-1-2-13/h3-7,9,11-13H,1-2,8,10H2,(H,25,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<1	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W95DCK
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM455087 (US10730874, Compound I-108 | US11352356, Compound ...) Show SMILES Fc1c(Br)ccn2cnc(CNC(=O)c3cnn(Cc4cn5nc(ccc5n4)C4CC4)c3)c12 Show InChI InChI=1S/C22H18BrFN8O/c23-16-5-6-30-12-26-18(21(30)20(16)24)8-25-22(33)14-7-27-31(9-14)10-15-11-32-19(28-15)4-3-17(29-32)13-1-2-13/h3-7,9,11-13H,1-2,8,10H2,(H,25,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<1	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
					More data for this Ligand-Target Pair