BDBM95154 3-[(3-fluorophenyl)methylsulfanylmethyl]-7-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbonyl-3,4-dihydro-1H-quinoxalin-2-one::3-[(3-fluorophenyl)methylsulfanylmethyl]-7-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one::3-[[(3-fluorobenzyl)thio]methyl]-7-[3-methyl-4-(m-tolyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one::3-[[(3-fluorophenyl)methylthio]methyl]-7-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-quinoxalin-2-one::MLS001031280::SMR000634631::cid_20967285
SMILES: CC1CN(CCN1c1cccc(C)c1)C(=O)c1ccc2NC(CSCc3cccc(F)c3)C(=O)Nc2c1
InChI Key: InChIKey=SCCSXQBSUYITNE-UHFFFAOYSA-N
Data: 1 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Probable nicotinate-nucleotide adenylyltransferase (Staphylococcus aureus subsp. aureus N315) | BDBM95154 (3-[(3-fluorophenyl)methylsulfanylmethyl]-7-[3-meth...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BV7F7H | ||||||||||||
More data for this Ligand-Target Pair |