Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM212125'   

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))	BDBM212125 (US9290485, 157) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ccc(Cl)cc3n2)c1 Show InChI InChI=1S/C22H21ClN6O/c1-13-7-21(24)27-14(2)19(13)10-25-22(30)16-9-26-29(11-16)12-18-6-4-15-3-5-17(23)8-20(15)28-18/h3-9,11H,10,12H2,1-2H3,(H2,24,27)(H,25,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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
					More data for this Ligand-Target Pair