Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM212137'   

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))	BDBM212137 (US9290485, 169) Show SMILES Cc1cn2cc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2n1 Show InChI InChI=1S/C21H23N7O/c1-13-6-19(22)26-15(3)18(13)8-23-21(29)17-7-24-28(12-17)11-16-4-5-20-25-14(2)9-27(20)10-16/h4-7,9-10,12H,8,11H2,1-3H3,(H2,22,26)(H,23,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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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