BDBM80548 (E)-3-[(3S)-3-(2-hydroxy-2-oxoethyl)-2-(3-methoxyphenyl)-1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-6-yl]prop-2-enoic acid::(E)-3-[(3S)-3-(carboxymethyl)-1,1-diketo-2-(3-methoxyphenyl)-3H-1,2-benzothiazol-6-yl]acrylic acid::(E)-3-[(3S)-3-(carboxymethyl)-2-(3-methoxyphenyl)-1,1-dioxo-3H-1,2-benzothiazol-6-yl]-2-propenoic acid::(E)-3-[(3S)-3-(carboxymethyl)-2-(3-methoxyphenyl)-1,1-dioxo-3H-1,2-benzothiazol-6-yl]prop-2-enoic acid::MLS000881749::SMR000525392::cid_24747546

SMILES COc1cccc(c1)N1[C@@H](CC(O)=O)c2ccc(\C=C\C(O)=O)cc2S1(=O)=O

InChI Key InChIKey=RAOPIDVNRBRWMO-BVBGJJFLSA-N

Data  7 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 7 hits for monomerid = 80548   

TargetDNA dC->dU-editing enzyme APOBEC-3A(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80548((E)-3-[(3S)-3-(2-hydroxy-2-oxoethyl)-2-(3-methoxyp...)
Affinity DataIC50:  1.22E+4nMT: 2°CAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3G(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80548((E)-3-[(3S)-3-(2-hydroxy-2-oxoethyl)-2-(3-methoxyp...)
Affinity DataIC50:  4.12E+4nMT: 2°CAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCarboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80548((E)-3-[(3S)-3-(2-hydroxy-2-oxoethyl)-2-(3-methoxyp...)
Affinity DataIC50:  2.88E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 5(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80548((E)-3-[(3S)-3-(2-hydroxy-2-oxoethyl)-2-(3-methoxyp...)
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, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80548((E)-3-[(3S)-3-(2-hydroxy-2-oxoethyl)-2-(3-methoxyp...)
Affinity DataIC50:  2.49E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80548((E)-3-[(3S)-3-(2-hydroxy-2-oxoethyl)-2-(3-methoxyp...)
Affinity DataIC50:  933nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 5(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80548((E)-3-[(3S)-3-(2-hydroxy-2-oxoethyl)-2-(3-methoxyp...)
Affinity DataIC50:  5.21E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay