BDBM50342778 (3S,6S,7R)-3,7-Dihydroxymethyl-6-palmitoyloxy-4-N-(5''-(uracil-1'-yl)pentyl)-1,4-diazepan-2-one::CHEMBL1770413

SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(CCCCCn2ccc(=O)[nH]c2=O)[C@@H](CO)C(=O)N[C@@H]1CO

InChI Key: InChIKey=YNEFKOAIIXEFRC-PKTNWEFCSA-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 = 50342778   

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))	BDBM50342778 ((3S,6S,7R)-3,7-Dihydroxymethyl-6-palmitoyloxy-4-N-...) Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(CCCCCn2ccc(=O)[nH]c2=O)[C@@H](CO)C(=O)N[C@@H]1CO |r| Show InChI InChI=1S/C32H56N4O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-30(40)43-28-23-36(27(25-38)31(41)33-26(28)24-37)21-17-14-16-20-35-22-19-29(39)34-32(35)42/h19,22,26-28,37-38H,2-18,20-21,23-25H2,1H3,(H,33,41)(H,34,39,42)/t26-,27+,28+/m1/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+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