Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50432809'   

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))	BDBM50432809 (CHEMBL2376070) Show SMILES COc1cc2nc(Sc3cnc(N)s3)n(Cc3ccccc3)c(=O)c2cc1OC Show InChI InChI=1S/C20H18N4O3S2/c1-26-15-8-13-14(9-16(15)27-2)23-20(29-17-10-22-19(21)28-17)24(18(13)25)11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H2,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of bovine DHFR after 2 mins by spectrophotometry				Eur J Med Chem 63: 33-45 (2013) Article DOI: 10.1016/j.ejmech.2012.12.061 BindingDB Entry DOI: 10.7270/Q26W9CGP
					More data for this Ligand-Target Pair