Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM212130'   

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))	BDBM212130 (US9290485, 162) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cc(c3cc(F)ccc3n2)C(F)(F)F)c1 Show InChI InChI=1S/C23H20F4N6O/c1-12-5-21(28)31-13(2)18(12)9-29-22(34)14-8-30-33(10-14)11-16-7-19(23(25,26)27)17-6-15(24)3-4-20(17)32-16/h3-8,10H,9,11H2,1-2H3,(H2,28,31)(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
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