Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM455224'   

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))	BDBM455224 (US10730874, Compound I-237 | US11352356, Compound ...) Show SMILES CC(C)(Cc1cc(cn2cc(Cn3cc(cn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1)C(O)=O Show InChI InChI=1S/C28H27ClFN7O3/c1-28(2,27(39)40)8-17-7-18(16-3-4-16)11-36-13-20(34-25(17)36)14-37-12-19(9-33-37)26(38)31-10-22-24-23(30)21(29)5-6-35(24)15-32-22/h5-7,9,11-13,15-16H,3-4,8,10,14H2,1-2H3,(H,31,38)(H,39,40)	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))	BDBM455224 (US10730874, Compound I-237 | US11352356, Compound ...) Show SMILES CC(C)(Cc1cc(cn2cc(Cn3cc(cn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1)C(O)=O Show InChI InChI=1S/C28H27ClFN7O3/c1-28(2,27(39)40)8-17-7-18(16-3-4-16)11-36-13-20(34-25(17)36)14-37-12-19(9-33-37)26(38)31-10-22-24-23(30)21(29)5-6-35(24)15-32-22/h5-7,9,11-13,15-16H,3-4,8,10,14H2,1-2H3,(H,31,38)(H,39,40)	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