Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'UDP-N-acetylmuramoylalanine--D-glutamate ligase' and Ligand = 'BDBM26454'   

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
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26454 ((2R)-2-({6-[(4-cyano-2-methoxyphenyl)methoxy]napht...) Show SMILES COc1cc(ccc1COc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O)C#N |r| Show InChI InChI=1S/C24H22N2O8S/c1-33-22-10-15(13-25)2-3-18(22)14-34-19-6-4-17-12-20(7-5-16(17)11-19)35(31,32)26-21(24(29)30)8-9-23(27)28/h2-7,10-12,21,26H,8-9,14H2,1H3,(H,27,28)(H,29,30)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair				3D Structure (docked)