Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase type 1 from Tn4003' and Ligand = 'BDBM210931'   

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 type 1 from Tn4003 (Staphylococcus aureus)	BDBM210931 (UCP1175) Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H22N4O3/c1-3-20-19(21(24)27-23(25)26-20)6-4-5-14-11-17(13-18(12-14)30-2)15-7-9-16(10-8-15)22(28)29/h7-13H,3,5H2,1-2H3,(H,28,29)(H4,24,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut					Assay Description IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).				Cell Chem Biol 23: 1458-1467 (2016) Article DOI: 10.1016/j.chembiol.2016.11.007 BindingDB Entry DOI: 10.7270/Q2NP2380
					More data for this Ligand-Target Pair