BDBM54422 4-(4-bromophenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-3-thenoic acid::4-(4-bromophenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylic acid::4-(4-bromophenyl)-2-[(3,4,5-trimethoxyphenyl)carbonylamino]thiophene-3-carboxylic acid::4-(4-bromophenyl)-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-3-thiophenecarboxylic acid::MLS001164606::SMR000539809::US20230364057, Compound 189::cid_1332923

SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1scc(c1C(O)=O)-c1ccc(Br)cc1

InChI Key InChIKey=WRMKKPCGARQORO-UHFFFAOYSA-N

Data  6 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 54422   

TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54422(4-(4-bromophenyl)-2-[(3,4,5-trimethoxybenzoyl)amin...)
Affinity DataEC50:  3.97E+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:
7/8/2011
Entry Details
PCBioAssay
TargetMajor prion protein(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM54422(4-(4-bromophenyl)-2-[(3,4,5-trimethoxybenzoyl)amin...)
Affinity DataIC50: 5.71E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2014
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54422(4-(4-bromophenyl)-2-[(3,4,5-trimethoxybenzoyl)amin...)
Affinity DataIC50: 5.83E+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:
7/9/2011
Entry Details
PCBioAssay
TargetTumor necrosis factor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54422(4-(4-bromophenyl)-2-[(3,4,5-trimethoxybenzoyl)amin...)
Affinity DataIC50: 6.88E+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:
7/9/2011
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 2(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54422(4-(4-bromophenyl)-2-[(3,4,5-trimethoxybenzoyl)amin...)
Affinity DataIC50: 1.32E+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:
6/5/2011
Entry Details
PCBioAssay
TargetTumor necrosis factor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54422(4-(4-bromophenyl)-2-[(3,4,5-trimethoxybenzoyl)amin...)
Affinity DataIC50: 2.00E+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:
7/11/2011
Entry Details
PCBioAssay
TargetDNA gyrase inhibitor(Escherichia coli (strain K12))
The Florida International University Board of Trustees

US Patent
LigandPNGBDBM54422(4-(4-bromophenyl)-2-[(3,4,5-trimethoxybenzoyl)amin...)
Affinity DataIC50: 3.75E+4nMAssay Description:SDFQ HTS primary assay using pAB1_FL905 was performed in 2 µL of (1 xDNA gyrase buffer: 20 mM Tris-Acetate pH 7.9, 50 mM KAc, 10 mM MgCl2, 2 mM DTT, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2024
Entry Details
US Patent