Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phospho-N-acetylmuramoyl-pentapeptide-transferase' and Ligand = 'BDBM50342785'   

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
Phospho-N-acetylmuramoyl-pentapeptide-transferase (Staphylococcus aureus (strain MRSA252))	BDBM50342785 ((3S,6S,7R)-3,7-Di-(5-amino-5-deoxy-beta-D-ribos-1-...) Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(CCCCCn2ccc(=O)[nH]c2=O)[C@@H](CO[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)C(=O)N[C@@H]1CO[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C42H74N6O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-34(50)59-32-25-48(21-17-14-16-20-47-22-19-33(49)46-42(47)56)29(27-58-41-38(54)36(52)31(24-44)61-41)39(55)45-28(32)26-57-40-37(53)35(51)30(23-43)60-40/h19,22,28-32,35-38,40-41,51-54H,2-18,20-21,23-27,43-44H2,1H3,(H,45,55)(H,46,49,56)/t28-,29+,30-,31-,32+,35-,36-,37-,38-,40-,41-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus MraY after 30 mins				Eur J Med Chem 46: 1582-92 (2011) Article DOI: 10.1016/j.ejmech.2011.02.006 BindingDB Entry DOI: 10.7270/Q2FF3SPR
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