Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase type 1' and Ligand = 'BDBM50405087'   

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)	BDBM50405087 (CHEMBL7435) Show SMILES CCCCOc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:14,17| Show InChI InChI=1S/C15H23N5O/c1-4-5-9-21-12-8-6-7-11(10-12)20-14(17)18-13(16)19-15(20,2)3/h6-8,10H,4-5,9H2,1-3H3,(H4,16,17,18,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	891	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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