Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50026275'   

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 (Rattus norvegicus (rat))	BDBM50026275 (2-(4-{[(2,4-Diamino-quinazolin-6-yl)-methyl-amino]...) Show SMILES CN(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)c1ccc2nc(N)nc(N)c2c1 Show InChI InChI=1S/C22H24N6O5/c1-28(14-6-7-16-15(10-14)19(23)27-22(24)26-16)11-12-2-4-13(5-3-12)20(31)25-17(21(32)33)8-9-18(29)30/h2-7,10,17H,8-9,11H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,23,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver dihydrofolate reductase assayed spectrophotometrically at 340 nM				J Med Chem 28: 209-15 (1985) BindingDB Entry DOI: 10.7270/Q20C4TS5
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