Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase type 1' and Ligand = 'BDBM50291778'   

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)	BDBM50291778 (CHEMBL20812 | N-{3-[3-(4,6-Diamino-2,2-dimethyl-2H...) Show SMILES CC(=O)Nc1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:20,23| Show InChI InChI=1S/C20H24N6O2/c1-13(27)23-15-7-5-9-17(11-15)28-12-14-6-4-8-16(10-14)26-19(22)24-18(21)25-20(26,2)3/h4-11H,12H2,1-3H3,(H,23,27)(H4,21,22,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.02E+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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