Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM455200'   

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))	BDBM455200 (US10730874, Compound I-217 | US11352356, Compound ...) Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4cn5ccc(cc5n4)C4CC4)nn3)c12 Show InChI InChI=1S/C22H18ClFN8O/c23-16-4-6-31-12-26-17(21(31)20(16)24)8-25-22(33)18-11-32(29-28-18)10-15-9-30-5-3-14(13-1-2-13)7-19(30)27-15/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))	BDBM455200 (US10730874, Compound I-217 | US11352356, Compound ...) Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4cn5ccc(cc5n4)C4CC4)nn3)c12 Show InChI InChI=1S/C22H18ClFN8O/c23-16-4-6-31-12-26-17(21(31)20(16)24)8-25-22(33)18-11-32(29-28-18)10-15-9-30-5-3-14(13-1-2-13)7-19(30)27-15/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	5.5	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