Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phospho-N-acetylmuramoyl-pentapeptide-transferase' and Ligand = 'BDBM50342781'   

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))	BDBM50342781 ((3S,6S,7R)-7-tert-Butyldiphenylsilyloxymethyl-4-N-...) 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[Si](c1ccccc1)(c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C53H83N5O10Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-24-31-47(60)67-45-37-58(34-26-19-25-33-57-35-32-46(59)56-52(57)64)43(39-65-51-49(62)48(61)44(36-54)68-51)50(63)55-42(45)38-66-69(53(2,3)4,40-27-20-17-21-28-40)41-29-22-18-23-30-41/h17-18,20-23,27-30,32,35,42-45,48-49,51,61-62H,5-16,19,24-26,31,33-34,36-39,54H2,1-4H3,(H,55,63)(H,56,59,64)/t42-,43+,44-,45+,48-,49-,51-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+5	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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