Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50448346'   

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))	BDBM50448346 (CHEMBL3121454) Show SMILES COc1ccc(cc1OC)N(CC#C)Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C27H22F3N3O2/c1-4-14-33(20-11-13-24(34-2)25(16-20)35-3)17-23-26(18-8-6-5-7-9-18)32-21-12-10-19(27(28,29)30)15-22(21)31-23/h1,5-13,15-16H,14,17H2,2-3H3	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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