Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phospho-N-acetylmuramoyl-pentapeptide-transferase' and Ligand = 'BDBM50386965'   

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))	BDBM50386965 (CHEMBL2048830) Show SMILES C[C@H](NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)N[C@@H]([C@H](C)N(C)C(=O)CN)C(=O)N\C=C1/O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C31H39N9O11/c1-14(35-30(49)36-19(29(47)48)10-16-12-33-18-7-5-4-6-17(16)18)26(45)38-23(15(2)39(3)22(42)11-32)27(46)34-13-20-24(43)25(44)28(51-20)40-9-8-21(41)37-31(40)50/h4-9,12-15,19,23-25,28,33,43-44H,10-11,32H2,1-3H3,(H,34,46)(H,38,45)(H,47,48)(H2,35,36,49)(H,37,41,50)/b20-13-/t14-,15-,19-,23-,24+,25+,28+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus MraY using UDP-MurNAc-dansylpentapeptide substrate assessed as formation of dansylated lipid I incubated for 3 to...				Bioorg Med Chem Lett 22: 4810-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.050 BindingDB Entry DOI: 10.7270/Q2J967FP
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