Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM336066'   

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))	BDBM336066 (4-((S)-2-((R)-3-(3-chloro-2- fluorophenyl)-4,5- di...) Show SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCOCC2=O)C(=O)[C@H]2CC(=NO2)c2cccc(Cl)c2F)cc1 |r,c:34| Show InChI InChI=1S/C31H26ClFN4O7/c32-22-5-1-4-21(27(22)33)23-15-25(44-35-23)30(40)37-12-11-19-20(3-2-6-24(19)36-13-14-43-16-26(36)38)28(37)29(39)34-18-9-7-17(8-10-18)31(41)42/h1-10,25,28H,11-16H2,(H,34,39)(H,41,42)/t25-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.63	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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