Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM455233'   

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))	BDBM455233 (US10730874, Compound I-245a | US11352356, Compound...) Show SMILES CCOC(=O)C(C)Cc1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1 Show InChI InChI=1S/C28H28ClFN8O3/c1-3-41-28(40)16(2)8-18-9-19(17-4-5-17)11-37-12-20(33-26(18)37)13-38-14-23(34-35-38)27(39)31-10-22-25-24(30)21(29)6-7-36(25)15-32-22/h6-7,9,11-12,14-17H,3-5,8,10,13H2,1-2H3,(H,31,39)	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))	BDBM455233 (US10730874, Compound I-245a | US11352356, Compound...) Show SMILES CCOC(=O)C(C)Cc1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1 Show InChI InChI=1S/C28H28ClFN8O3/c1-3-41-28(40)16(2)8-18-9-19(17-4-5-17)11-37-12-20(33-26(18)37)13-38-14-23(34-35-38)27(39)31-10-22-25-24(30)21(29)6-7-36(25)15-32-22/h6-7,9,11-12,14-17H,3-5,8,10,13H2,1-2H3,(H,31,39)	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