BDBM64829 2-hydroxy-4-[4-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid::4-[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-2-oxidanyl-benzoic acid::4-[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-2-hydroxybenzoic acid::4-[[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid::MLS-0435438.0001::cid_6203183

SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1O

InChI Key InChIKey=GGMMNBODULCFQO-UHFFFAOYSA-N

Data  9 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 9 hits for monomerid = 64829   

TargetG-protein coupled receptor 55(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM64829(4-[[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-...)
Affinity DataIC50: 3.20E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM64829(4-[[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-...)
Affinity DataIC50: 300nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetG-protein coupled receptor 35(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM64829(4-[[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-...)
Affinity DataIC50: 2.09E+3nMAssay Description:Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 22(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM64829(4-[[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-...)
Affinity DataIC50: 1.00E+5nMAssay 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 22(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM64829(4-[[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-...)
Affinity DataIC50: 7.31E+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 DepthDetails
PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 7(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM64829(4-[[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-...)
Affinity DataIC50: 8.75E+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
TargetDNA (cytosine-5)-methyltransferase 3A(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM64829(4-[[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-...)
Affinity DataIC50: 3.94E+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
TargetLow molecular weight phosphotyrosine protein phosphatase(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM64829(4-[[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-...)
Affinity DataIC50: 8.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetLow molecular weight phosphotyrosine protein phosphatase(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM64829(4-[[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-...)
Affinity DataIC50: 8.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails
PCBioAssay