Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase type 1' and Ligand = 'BDBM50291795'   

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)	BDBM50291795 (CHEMBL441503 | {3-[3-(4,6-Diamino-2,2-dimethyl-2H-...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(CO)c2)c1 |t:3,6| Show InChI InChI=1S/C19H23N5O2/c1-19(2)23-17(20)22-18(21)24(19)15-7-3-6-14(9-15)12-26-16-8-4-5-13(10-16)11-25/h3-10,25H,11-12H2,1-2H3,(H4,20,21,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	646	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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