Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM212126'   

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))	BDBM212126 (US9290485, 158) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ccc(Cl)cc3n2)nn1 Show InChI InChI=1S/C21H20ClN7O/c1-12-7-20(23)25-13(2)17(12)9-24-21(30)19-11-29(28-27-19)10-16-6-4-14-3-5-15(22)8-18(14)26-16/h3-8,11H,9-10H2,1-2H3,(H2,23,25)(H,24,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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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