Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM212116'   

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))	BDBM212116 (US9290485, 148) Show SMILES Cc1cc(C)n(Cc2ccc(Cn3cc(nn3)C(=O)NCc3c(C)cc(N)nc3C)cc2)n1 Show InChI InChI=1S/C24H28N8O/c1-15-9-23(25)27-18(4)21(15)11-26-24(33)22-14-31(30-28-22)12-19-5-7-20(8-6-19)13-32-17(3)10-16(2)29-32/h5-10,14H,11-13H2,1-4H3,(H2,25,27)(H,26,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0300	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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