BDBM53982 3-[[2,2,2-trichloro-1-[(2-nitrobenzoyl)amino]ethyl]carbamothioylamino]benzoic acid::3-[[2,2,2-trichloro-1-[(2-nitrobenzoyl)amino]ethyl]thiocarbamoylamino]benzoic acid::3-[[2,2,2-tris(chloranyl)-1-[(2-nitrophenyl)carbonylamino]ethyl]carbamothioylamino]benzoic acid::3-[[sulfanylidene-[[2,2,2-trichloro-1-[[(2-nitrophenyl)-oxomethyl]amino]ethyl]amino]methyl]amino]benzoic acid::3-{[({2,2,2-trichloro-1-[(2-nitrobenzoyl)amino]ethyl}amino)carbonothioyl]amino}benzoic acid::MLS000685446::SMR000312410::cid_2829906

SMILES OC(=O)c1cccc(NC(=S)NC(NC(=O)c2ccccc2[N+]([O-])=O)C(Cl)(Cl)Cl)c1

InChI Key InChIKey=ROYRRLXVBMHJCO-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 53982   

TargetM1 family aminopeptidase(Plasmodium falciparum (isolate FcB1 / Columbia))
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM53982(3-[[2,2,2-trichloro-1-[(2-nitrobenzoyl)amino]ethyl...)
Affinity DataIC50: 5.86E+4nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2011
Entry Details
PCBioAssay