Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50448340'   

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 (Homo sapiens (Human))	BDBM50448340 (CHEMBL3121455) Show SMILES COc1cc(cc(OC)c1OC)N(CC#C)Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C28H24F3N3O3/c1-5-13-34(20-15-24(35-2)27(37-4)25(16-20)36-3)17-23-26(18-9-7-6-8-10-18)33-21-12-11-19(28(29,30)31)14-22(21)32-23/h1,6-12,14-16H,13,17H2,2-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Competitive inhibition of human dihydrofolate reductase by spectrophotometry				Eur J Med Chem 75: 169-83 (2014) Article DOI: 10.1016/j.ejmech.2014.01.048 BindingDB Entry DOI: 10.7270/Q2PR7XGH
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