Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phospho-N-acetylmuramoyl-pentapeptide-transferase' and Ligand = 'BDBM50342783'   

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))	BDBM50342783 ((3S,6S,7R)-3,7-Di-(5-azido-5-deoxy-2,3-O-isopentyl...) Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(CCCCCn2ccc(=O)[nH]c2=O)[C@@H](CO[C@@H]2O[C@H](CN=[N+]=[N-])[C@H]3OC(CC)(CC)O[C@@H]23)C(=O)N[C@@H]1CO[C@@H]1O[C@H](CN=[N+]=[N-])[C@H]2OC(CC)(CC)O[C@@H]12 |r| Show InChI InChI=1S/C52H86N10O13/c1-6-11-12-13-14-15-16-17-18-19-20-21-23-26-42(64)69-40-33-62(29-25-22-24-28-61-30-27-41(63)58-50(61)66)37(35-68-49-46-44(39(71-49)32-56-60-54)73-52(9-4,10-5)75-46)47(65)57-36(40)34-67-48-45-43(38(70-48)31-55-59-53)72-51(7-2,8-3)74-45/h27,30,36-40,43-46,48-49H,6-26,28-29,31-35H2,1-5H3,(H,57,65)(H,58,63,66)/t36-,37+,38-,39-,40+,43-,44-,45-,46-,48-,49-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+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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