Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50024471'   

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 (Lactobacillus casei)	BDBM50024471 (4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazolin...) Show SMILES Nc1nc2CCC(CN(CC#C)c3ccc(cc3)C(O)=O)Cc2c(=O)[nH]1 Show InChI InChI=1S/C19H20N4O3/c1-2-9-23(14-6-4-13(5-7-14)18(25)26)11-12-3-8-16-15(10-12)17(24)22-19(20)21-16/h1,4-7,12H,3,8-11H2,(H,25,26)(H3,20,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibition of dihydrofolate reductase in L. casei				J Med Chem 30: 1256-61 (1987) BindingDB Entry DOI: 10.7270/Q2R49PRC
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