Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50235583'   

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))	BDBM50235583 (CHEMBL4100781) Show SMILES COc1ccc(cc1)-n1c(nc2ccccc2c1=O)C(CC(C)C)NS(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C26H28N4O4S/c1-17(2)16-24(29-35(32,33)21-14-8-18(27)9-15-21)25-28-23-7-5-4-6-22(23)26(31)30(25)19-10-12-20(34-3)13-11-19/h4-15,17,24,29H,16,27H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97.4	n/a	n/a	n/a	n/a	n/a	n/a
Affiliated to Sardar Patel University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR using FH2 as substrate preincubated for 2 mins followed by substrate addition in presence of NADPH				Eur J Med Chem 129: 251-265 (2017) Article DOI: 10.1016/j.ejmech.2017.02.012 BindingDB Entry DOI: 10.7270/Q2TX3HN7
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