BDBM54020 (2E)-2-(1,3-benzothiazol-2-yl)-3-(4-hydroxy-3-nitrophenyl)acrylonitrile::(2E,3Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)propanenitrile::(2E,3Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)propanenitrile::(2E,3Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)propanenitrile::(2E,3Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)propionitrile::MLS000681744::SMR000312787::cid_16195604

SMILES [O-][N+](=O)c1c[c-](\C=C(/C#N)c2[nH+]c3ccccc3s2)ccc1=O

InChI Key InChIKey=BLWDSLWTQSNDHJ-YRNVUSSQSA-O

Data  3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 54020   

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

Curated by PubChem BioAssay
LigandPNGBDBM54020((2E)-2-(1,3-benzothiazol-2-yl)-3-(4-hydroxy-3-nitr...)
Affinity DataIC50:  3.39E+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 DepthDetails PCBioAssay
TargetEnvelope glycoprotein gp160(Human immunodeficiency virus 1)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54020((2E)-2-(1,3-benzothiazol-2-yl)-3-(4-hydroxy-3-nitr...)
Affinity DataIC50:  4.65E+3nMAssay Description:Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEnvelope glycoprotein gp160(Human immunodeficiency virus 1)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54020((2E)-2-(1,3-benzothiazol-2-yl)-3-(4-hydroxy-3-nitr...)
Affinity DataIC50:  6.25E+3nMAssay Description:Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay