Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM212120'   

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))	BDBM212120 (US9290485, 152) Show SMILES CN1CCCc2ccc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)cc12 Show InChI InChI=1S/C23H28N6O/c1-15-9-22(24)27-16(2)20(15)12-25-23(30)19-11-26-29(14-19)13-17-6-7-18-5-4-8-28(3)21(18)10-17/h6-7,9-11,14H,4-5,8,12-13H2,1-3H3,(H2,24,27)(H,25,30)	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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