BDBM43028 2-({5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-dimethyl-2-pyridinyl}sulfanyl)-N-(4-fluorophenyl)acetamide::2-[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-3-cyano-4,6-dimethyl-pyridin-2-yl]sulfanyl-N-(4-fluorophenyl)ethanamide::2-[5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-dimethylpyridin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide::2-[[5-[2-(4-bromophenyl)-2-keto-ethyl]-3-cyano-4,6-dimethyl-2-pyridyl]thio]-N-(4-fluorophenyl)acetamide::2-[[5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-dimethyl-2-pyridinyl]thio]-N-(4-fluorophenyl)acetamide::MLS000537439::SMR000161056::cid_1025062

SMILES Cc1nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c(C)c1CC(=O)c1ccc(Br)cc1

InChI Key InChIKey=JMAFOPUOSLOMFZ-UHFFFAOYSA-N

Data  3 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 43028   

TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM43028(2-[[5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-d...)
Affinity DataIC50: 9.00E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM43028(2-[[5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-d...)
Affinity DataIC50: 9.00E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetNuclear receptor coactivator 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM43028(2-[[5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-d...)
Affinity DataEC50:  9.89E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM43028(2-[[5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-d...)
Affinity DataIC50: 1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetNuclear receptor coactivator 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM43028(2-[[5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-d...)
Affinity DataEC50:  1.38E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2011
Entry Details
PCBioAssay
TargetNuclear receptor coactivator 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM43028(2-[[5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-d...)
Affinity DataEC50:  2.48E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center http://molscreen.florida.scripps.edu/ Center Affiliation: The ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay