Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50448352'   

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))	BDBM50448352 (CHEMBL3121445) Show SMILES CCOC(=O)Cc1ccc(cc1)N(CC)Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C28H26F3N3O2/c1-3-34(22-13-10-19(11-14-22)16-26(35)36-4-2)18-25-27(20-8-6-5-7-9-20)33-23-15-12-21(28(29,30)31)17-24(23)32-25/h5-15,17H,3-4,16,18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+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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