BDBM54418 2-(4-Chloro-benzoylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid::2-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid::2-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid::2-[(4-chlorophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid::2-[[(4-chlorophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid::MLS001212355::SMR000514706::cid_2259677

SMILES c1cc(ccc1C(=O)Nc2c(c3c(s2)CCCC3)C(=O)O)Cl

InChI Key InChIKey=DUJFDTGMUKWELI-UHFFFAOYSA-N

Data  4 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 54418   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 54418BDBM54418(2-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-be...)
Affinity DataIC50: 2.86E+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 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 54418BDBM54418(2-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-be...)
Affinity DataEC50:  6.58E+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
TargetTumor necrosis factor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 54418BDBM54418(2-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-be...)
Affinity DataIC50: 1.34E+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:
7/9/2011
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 2(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 54418BDBM54418(2-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-be...)
Affinity DataIC50: 1.60E+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
LigandChemical structure of BindingDB Monomer ID 54418BDBM54418(2-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-be...)
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