BDBM81046 (2E)-3-[(3-bromobenzyl)thio]-2-cyano-3-[(2-methylphenyl)amino]acrylamide::(E)-3-[(3-bromobenzyl)thio]-2-cyano-3-(o-toluidino)acrylamide::(E)-3-[(3-bromophenyl)methylsulfanyl]-2-cyano-3-(2-methylanilino)prop-2-enamide::(E)-3-[(3-bromophenyl)methylsulfanyl]-2-cyano-3-[(2-methylphenyl)amino]prop-2-enamide::(E)-3-[(3-bromophenyl)methylthio]-2-cyano-3-(2-methylanilino)-2-propenamide::MLS000583585::SMR000206771::cid_12004836

SMILES Cc1ccccc1N=C(SCc1cccc(Br)c1)C(C#N)C(N)=O

InChI Key InChIKey=JYZPMTZENYSJMY-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 81046   

TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81046((E)-3-[(3-bromophenyl)methylthio]-2-cyano-3-(2-met...)
Affinity DataIC50: 5.90E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/4/2011
Entry Details
PCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81046((E)-3-[(3-bromophenyl)methylthio]-2-cyano-3-(2-met...)
Affinity DataIC50: 8.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81046((E)-3-[(3-bromophenyl)methylthio]-2-cyano-3-(2-met...)
Affinity DataIC50: 8.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay
TargetGlucose-6-phosphate 1-dehydrogenase(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81046((E)-3-[(3-bromophenyl)methylthio]-2-cyano-3-(2-met...)
Affinity DataIC50: 8.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/4/2011
Entry Details
PCBioAssay