Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM455229'   

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))	BDBM455229 (US10730874, Compound I-241b | US11352356, Compound...) Show SMILES CC(C)(C(O)c1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1)C(O)=O Show InChI InChI=1S/C27H26ClFN8O4/c1-27(2,26(40)41)23(38)17-7-15(14-3-4-14)9-36-10-16(32-24(17)36)11-37-12-20(33-34-37)25(39)30-8-19-22-21(29)18(28)5-6-35(22)13-31-19/h5-7,9-10,12-14,23,38H,3-4,8,11H2,1-2H3,(H,30,39)(H,40,41)	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))	BDBM455229 (US10730874, Compound I-241b | US11352356, Compound...) Show SMILES CC(C)(C(O)c1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1)C(O)=O Show InChI InChI=1S/C27H26ClFN8O4/c1-27(2,26(40)41)23(38)17-7-15(14-3-4-14)9-36-10-16(32-24(17)36)11-37-12-20(33-34-37)25(39)30-8-19-22-21(29)18(28)5-6-35(22)13-31-19/h5-7,9-10,12-14,23,38H,3-4,8,11H2,1-2H3,(H,30,39)(H,40,41)	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