Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM226168'   

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))	BDBM226168 (1-[2-(6-Chloro)-3-(4-methoxy-phenyl)-4-oxo-3,4-dih...) Show SMILES COc1ccc(cc1)-n1c(SCC(=O)NNC(=S)c2ccc(Cl)cc2)nc2ccc(Cl)cc2c1=O Show InChI InChI=1S/C24H18Cl2N4O3S2/c1-33-18-9-7-17(8-10-18)30-23(32)19-12-16(26)6-11-20(19)27-24(30)35-13-21(31)28-29-22(34)14-2-4-15(25)5-3-14/h2-12H,13H2,1H3,(H,28,31)(H,29,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.20E+3	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