Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50026277'   

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))	BDBM50026277 (2-(4-{[(2,4-Diamino-quinazolin-6-yl)-formyl-amino]...) Show SMILES Nc1nc(N)c2cc(ccc2n1)N(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)C=O Show InChI InChI=1S/C22H22N6O6/c23-19-15-9-14(5-6-16(15)26-22(24)27-19)28(11-29)10-12-1-3-13(4-2-12)20(32)25-17(21(33)34)7-8-18(30)31/h1-6,9,11,17H,7-8,10H2,(H,25,32)(H,30,31)(H,33,34)(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	4.70	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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