Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM455054'   

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))	BDBM455054 (US10730874, Compound I-78 | US11352356, Compound I...) Show SMILES Clc1ccn2cnc(CNC(=O)c3cn(Cc4cn5cc(ccc5n4)C4CC4)nc3C3CC3)c2c1 Show InChI InChI=1S/C26H24ClN7O/c27-19-7-8-32-15-29-22(23(32)9-19)10-28-26(35)21-14-34(31-25(21)17-3-4-17)13-20-12-33-11-18(16-1-2-16)5-6-24(33)30-20/h5-9,11-12,14-17H,1-4,10,13H2,(H,28,35)	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))	BDBM455054 (US10730874, Compound I-78 | US11352356, Compound I...) Show SMILES Clc1ccn2cnc(CNC(=O)c3cn(Cc4cn5cc(ccc5n4)C4CC4)nc3C3CC3)c2c1 Show InChI InChI=1S/C26H24ClN7O/c27-19-7-8-32-15-29-22(23(32)9-19)10-28-26(35)21-14-34(31-25(21)17-3-4-17)13-20-12-33-11-18(16-1-2-16)5-6-24(33)30-20/h5-9,11-12,14-17H,1-4,10,13H2,(H,28,35)	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