Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50421660'   

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 (Escherichia coli)	BDBM50421660 (CHEMBL149353) Show SMILES CCCc1nc(N)nc(N)c1Cc1cc(OC)c(O)c(OC)c1 Show InChI InChI=1S/C16H22N4O3/c1-4-5-11-10(15(17)20-16(18)19-11)6-9-7-12(22-2)14(21)13(8-9)23-3/h7-8,21H,4-6H2,1-3H3,(H4,17,18,19,20)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition against dihydrofolate reductase enzyme of Escherichia coli				J Med Chem 23: 535-41 (1980) BindingDB Entry DOI: 10.7270/Q2TX3GJG
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