BDBM50185 2-hydroxy-4-({4-[5-(2-methyl-3-phenyl-2-propen-1-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoic acid::2-hydroxy-4-[4-[(5Z)-4-keto-5-[(E)-2-methyl-3-phenyl-prop-2-enylidene]-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid::2-hydroxy-4-[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid::2-hydroxy-4-[[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]benzoic acid::4-[4-[(5Z)-5-[(E)-2-methyl-3-phenyl-prop-2-enylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-2-oxidanyl-benzoic acid::CHEMBL1384502::MLS000575039::SMR000208964::cid_2286812

SMILES C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C(O)=O)c(O)c2)C1=O)=C/c1ccccc1

InChI Key InChIKey=COFMYJWNXSFLKQ-UHFFFAOYSA-N

Data  2 KI  14 IC50  2 EC50

  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 18 hits for monomerid = 50185   

TargetTyrosine-protein phosphatase non-receptor type 7(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50185(2-hydroxy-4-[[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop...)
Affinity DataIC50: 703nMAssay 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:
7/31/2011
Entry Details
PCBioAssay
TargetG-protein coupled receptor 35(Human)
Dalian Institute of Chemical Physics

Curated by ChEMBL
LigandPNGBDBM50185(2-hydroxy-4-[[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop...)
Affinity DataIC50: 27nMAssay Description:Antagonist activity at GPR-35 (unknown origin) by beta-arrestin assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetG-protein coupled receptor 35(Human)
Dalian Institute of Chemical Physics

Curated by ChEMBL
LigandPNGBDBM50185(2-hydroxy-4-[[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop...)
Affinity DataEC50:  522nMAssay Description:Antagonist activity at C-terminal beta-galactosidase tagged human recombinant GPR35 expressed in CHO cells after 90 mins by beta-arrestin recruitment...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetG-protein coupled receptor 35(Human)
Dalian Institute of Chemical Physics

Curated by ChEMBL
LigandPNGBDBM50185(2-hydroxy-4-[[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop...)
Affinity DataIC50: 27nMAssay Description:Antagonist activity at human Gal4-VP16 fused GPR35 expressed in human U2OS cells assessed as beta arrestin translocation by reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetDNA (cytosine-5)-methyltransferase 3A(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50185(2-hydroxy-4-[[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop...)
Affinity DataIC50: 1.40E+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:
8/1/2011
Entry Details
PCBioAssay
TargetDNA (cytosine-5)-methyltransferase 3A(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50185(2-hydroxy-4-[[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop...)
Affinity DataIC50: 9.91E+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:
8/1/2011
Entry Details
PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 7(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50185(2-hydroxy-4-[[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop...)
Affinity DataIC50: 739nMAssay 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:
7/31/2011
Entry Details
PCBioAssay
LigandPNGBDBM50185(2-hydroxy-4-[[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop...)
Affinity DataIC50: 1.56E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 22(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50185(2-hydroxy-4-[[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop...)
Affinity DataIC50: 3.79E+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:
7/31/2011
Entry Details
PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 22(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50185(2-hydroxy-4-[[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop...)
Affinity DataIC50: 4.09E+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:
7/31/2011
Entry Details
PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 22(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50185(2-hydroxy-4-[[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop...)
Affinity DataIC50: 4.91E+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:
7/31/2011
Entry Details
PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 22(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50185(2-hydroxy-4-[[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop...)
Affinity DataIC50: 4.49E+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:
7/31/2011
Entry Details
PCBioAssay
TargetG-protein coupled receptor 35(Human)
Dalian Institute of Chemical Physics

Curated by ChEMBL
LigandPNGBDBM50185(2-hydroxy-4-[[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop...)
Affinity DataIC50: 2.36E+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 Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50185(2-hydroxy-4-[[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop...)
Affinity DataIC50: 20.1nMAssay 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 Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetG-protein coupled receptor 55(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50185(2-hydroxy-4-[[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop...)
Affinity DataIC50: 2.17E+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 Depth
Date in BDB:
7/10/2011
Entry Details
PCBioAssay
TargetLarge T antigen(SV40)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50185(2-hydroxy-4-[[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop...)
Affinity DataEC50:  3.84E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/9/2011
Entry Details
PCBioAssay
TargetG-protein coupled receptor 35(Human)
Dalian Institute of Chemical Physics

Curated by ChEMBL
LigandPNGBDBM50185(2-hydroxy-4-[[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop...)
Affinity DataKi:  4nMAssay Description:Competitive binding affinity to Nluc-fused human GPR35 expressed in CHO-K1 cells assessed as inhibition constant using furimazine as substrate incuba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetG-protein coupled receptor 35(Human)
Dalian Institute of Chemical Physics

Curated by ChEMBL
LigandPNGBDBM50185(2-hydroxy-4-[[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop...)
Affinity DataKi:  8.80nMAssay Description:Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed