Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM212109'   

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))	BDBM212109 (US9290485, 141) Show SMILES Cc1cc(=O)n(C)n1Cc1ccc(Cn2cc(cn2)C(=O)NCc2c(C)cc(N)nc2C)cc1 Show InChI InChI=1S/C25H29N7O2/c1-16-9-23(26)29-18(3)22(16)12-27-25(34)21-11-28-31(15-21)13-19-5-7-20(8-6-19)14-32-17(2)10-24(33)30(32)4/h5-11,15H,12-14H2,1-4H3,(H2,26,29)(H,27,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	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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