Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM226159'   

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
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM226159 ((6,7-Dimethoxy)-2-mercapto-3-(4-methoxyphenyl)quin...) Show SMILES COc1ccc(cc1)-n1c(=S)[nH]c2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C17H16N2O4S/c1-21-11-6-4-10(5-7-11)19-16(20)12-8-14(22-2)15(23-3)9-13(12)18-17(19)24/h4-9H,1-3H3,(H,18,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	7.4	25
Future University					Assay Description The assay mixture contained 50 μM Tris-HCl buffer (pH 7.4), 50 μM NADPH, 10 μl DMSO or the same volume of DMSO solution containing the...				Bioorg Chem 72: 282-292 (2017) BindingDB Entry DOI: 10.7270/Q2TX3D82
					More data for this Ligand-Target Pair