Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phospho-N-acetylmuramoyl-pentapeptide-transferase' and Ligand = 'BDBM50342786'   

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))	BDBM50342786 ((3S,6S,7R)-3-(Benzyloxymethyl)-7-(tertbutyldipheny...) Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(CCCCCn2ccc(=O)[nH]c2=O)[C@@H](COCc2ccccc2)C(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C55H80N4O7Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-27-36-52(61)66-50-41-59(39-29-20-28-38-58-40-37-51(60)57-54(58)63)49(44-64-42-45-30-21-17-22-31-45)53(62)56-48(50)43-65-67(55(2,3)4,46-32-23-18-24-33-46)47-34-25-19-26-35-47/h17-19,21-26,30-35,37,40,48-50H,5-16,20,27-29,36,38-39,41-44H2,1-4H3,(H,56,62)(H,57,60,63)/t48-,49+,50+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+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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