BDBM50342784 (3S,6S,7R)-3,7-Di-(5-amino-5-deoxy-2,3-O-isopentylidene-beta-D-ribos-1-yl-methyl)-4-N-(5''-(uracil-1'-yl)pentyl)-6-palmitoyloxy-1,4-diazepan-2-one::CHEMBL1770419

SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(CCCCCn2ccc(=O)[nH]c2=O)[C@@H](CO[C@@H]2O[C@H](CN)[C@H]3OC(CC)(CC)O[C@@H]23)C(=O)N[C@@H]1CO[C@@H]1O[C@H](CN)[C@H]2OC(CC)(CC)O[C@@H]12

InChI Key: InChIKey=ZDTSKZMNXNPZAI-BAOHQFEBSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50342784   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50342784 ((3S,6S,7R)-3,7-Di-(5-amino-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)[C@H]3OC(CC)(CC)O[C@@H]23)C(=O)N[C@@H]1CO[C@@H]1O[C@H](CN)[C@H]2OC(CC)(CC)O[C@@H]12 |r| Show InChI InChI=1S/C52H90N6O13/c1-6-11-12-13-14-15-16-17-18-19-20-21-23-26-42(60)65-40-33-58(29-25-22-24-28-57-30-27-41(59)56-50(57)62)37(35-64-49-46-44(39(32-54)67-49)69-52(9-4,10-5)71-46)47(61)55-36(40)34-63-48-45-43(38(31-53)66-48)68-51(7-2,8-3)70-45/h27,30,36-40,43-46,48-49H,6-26,28-29,31-35,53-54H2,1-5H3,(H,55,61)(H,56,59,62)/t36-,37+,38-,39-,40+,43-,44-,45-,46-,48-,49-/m1/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+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
					More data for this Ligand-Target Pair