Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM455230'   

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))	BDBM455230 (US10730874, Compound I-242 | US11352356, Compound ...) Show SMILES CCn1ncn(-c2cc(cn3cc(Cn4cc(nn4)C(=O)NCc4ncn5ccc(Cl)c(F)c45)nc23)C2CC2)c(=O)c1=O Show InChI InChI=1S/C27H23ClFN11O3/c1-2-40-27(43)26(42)39(14-32-40)21-7-16(15-3-4-15)9-37-10-17(33-24(21)37)11-38-12-20(34-35-38)25(41)30-8-19-23-22(29)18(28)5-6-36(23)13-31-19/h5-7,9-10,12-15H,2-4,8,11H2,1H3,(H,30,41)	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))	BDBM455230 (US10730874, Compound I-242 | US11352356, Compound ...) Show SMILES CCn1ncn(-c2cc(cn3cc(Cn4cc(nn4)C(=O)NCc4ncn5ccc(Cl)c(F)c45)nc23)C2CC2)c(=O)c1=O Show InChI InChI=1S/C27H23ClFN11O3/c1-2-40-27(43)26(42)39(14-32-40)21-7-16(15-3-4-15)9-37-10-17(33-24(21)37)11-38-12-20(34-35-38)25(41)30-8-19-23-22(29)18(28)5-6-36(23)13-31-19/h5-7,9-10,12-15H,2-4,8,11H2,1H3,(H,30,41)	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