Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM455223'   

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))	BDBM455223 (US10730874, Compound I-236 | US11352356, Compound ...) Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4nc5cc(ccc5[nH]4)C4CC4)nn3)c12 Show InChI InChI=1S/C22H18ClFN8O/c23-14-5-6-31-11-26-17(21(31)20(14)24)8-25-22(33)18-9-32(30-29-18)10-19-27-15-4-3-13(12-1-2-12)7-16(15)28-19/h3-7,9,11-12H,1-2,8,10H2,(H,25,33)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	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))	BDBM455223 (US10730874, Compound I-236 | US11352356, Compound ...) Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4nc5cc(ccc5[nH]4)C4CC4)nn3)c12 Show InChI InChI=1S/C22H18ClFN8O/c23-14-5-6-31-11-26-17(21(31)20(14)24)8-25-22(33)18-9-32(30-29-18)10-19-27-15-4-3-13(12-1-2-12)7-16(15)28-19/h3-7,9,11-12H,1-2,8,10H2,(H,25,33)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	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