Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase type 1' and Ligand = 'BDBM50291801'   

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 type 1 (Escherichia coli)	BDBM50291801 (6,6-Dimethyl-1-(3-tetradecyloxy-phenyl)-1,6-dihydr...) Show SMILES CCCCCCCCCCCCCCOc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:24,27| Show InChI InChI=1S/C25H43N5O/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-31-22-18-16-17-21(20-22)30-24(27)28-23(26)29-25(30,2)3/h16-18,20H,4-15,19H2,1-3H3,(H4,26,27,28,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Escherichia coli dihydrofolate reductase.				J Med Chem 28: 1910-6 (1985) BindingDB Entry DOI: 10.7270/Q2G44SH3
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