Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM335789'   

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))	BDBM335789 ((S)-4-(2-(1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-tri...) Show SMILES CNC(=O)c1ccc(cn1)-c1cccc2[C@H](N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C33H25ClFN7O5/c1-36-30(43)25-13-10-19(16-37-25)21-4-2-5-23-22(21)14-15-41(29(23)31(44)38-20-11-8-18(9-12-20)33(46)47)32(45)26-17-42(40-39-26)27-7-3-6-24(34)28(27)35/h2-13,16-17,29H,14-15H2,1H3,(H,36,43)(H,38,44)(H,46,47)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.28	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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