Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate synthase/folylpolyglutamate synthase'   

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 synthase/folylpolyglutamate synthase (Escherichia coli (strain K12))	BDBM50482590 (CHEBI:15633 | Dihydrofolic acid) Show SMILES Nc1nc(=O)c2N=C(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]1 |r,t:6| Show InChI InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Princeton University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli K-12 recombinant His-tagged folylpoly-gamma-glutamate synthetase expressed in Escherichia coli BL21 LC-MS/MS method				Nat Chem Biol 4: 602-8 (2008) Article DOI: 10.1038/nchembio.108 BindingDB Entry DOI: 10.7270/Q21V5HSZ
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