Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM336072'   

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))	BDBM336072 (4-((S)-2-((R)-3-(3-chloro-2- fluorophenyl)-4,5- di...) Show SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCOCC2)C(=O)[C@H]2CC(=NO2)c2cccc(Cl)c2F)cc1 |r,c:33| Show InChI InChI=1S/C31H28ClFN4O6/c32-23-5-1-4-22(27(23)33)24-17-26(43-35-24)30(39)37-12-11-20-21(3-2-6-25(20)36-13-15-42-16-14-36)28(37)29(38)34-19-9-7-18(8-10-19)31(40)41/h1-10,26,28H,11-17H2,(H,34,38)(H,40,41)/t26-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...				US Patent US9738655 (2017) BindingDB Entry DOI: 10.7270/Q2BG2R3R
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