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-UHFFFAOYSA-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   

TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80548((E)-3-[(3S)-3-(carboxymethyl)-2-(3-methoxyphenyl)-...)
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 Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay
TargetDual specificity protein phosphatase 3(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80548((E)-3-[(3S)-3-(carboxymethyl)-2-(3-methoxyphenyl)-...)
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 Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay
LigandPNGBDBM80548((E)-3-[(3S)-3-(carboxymethyl)-2-(3-methoxyphenyl)-...)
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 Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3A(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80548((E)-3-[(3S)-3-(carboxymethyl)-2-(3-methoxyphenyl)-...)
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 Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3G(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80548((E)-3-[(3S)-3-(carboxymethyl)-2-(3-methoxyphenyl)-...)
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 Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 5(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80548((E)-3-[(3S)-3-(carboxymethyl)-2-(3-methoxyphenyl)-...)
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 Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 5(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80548((E)-3-[(3S)-3-(carboxymethyl)-2-(3-methoxyphenyl)-...)
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 Depth
Date in BDB:
6/25/2012
Entry Details
PCBioAssay