Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM455056'   

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))	BDBM455056 (US10730874, Compound I-80 | US11352356, Compound I...) Show SMILES Clc1ccn2cnc(CNC(=O)c3cn(Cc4cn5cc(ccc5n4)C4CC4)nn3)c2c1 Show InChI InChI=1S/C22H19ClN8O/c23-16-5-6-29-13-25-18(20(29)7-16)8-24-22(32)19-12-31(28-27-19)11-17-10-30-9-15(14-1-2-14)3-4-21(30)26-17/h3-7,9-10,12-14H,1-2,8,11H2,(H,24,32)	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))	BDBM455056 (US10730874, Compound I-80 | US11352356, Compound I...) Show SMILES Clc1ccn2cnc(CNC(=O)c3cn(Cc4cn5cc(ccc5n4)C4CC4)nn3)c2c1 Show InChI InChI=1S/C22H19ClN8O/c23-16-5-6-29-13-25-18(20(29)7-16)8-24-22(32)19-12-31(28-27-19)11-17-10-30-9-15(14-1-2-14)3-4-21(30)26-17/h3-7,9-10,12-14H,1-2,8,11H2,(H,24,32)	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