BDBM46781 (3R,3aR)-2-benzoyl-3-(4-fluorobenzyl)-5-keto-4-methylene-1,3a-dihydrocyclopenta[c]pyrrole-3-carboxylic acid methyl ester::(3R,3aR)-2-benzoyl-3-[(4-fluorophenyl)methyl]-4-methylene-5-oxo-1,3a-dihydrocyclopenta[c]pyrrole-3-carboxylic acid methyl ester::MLS000563758::SMR000388767::cid_3247230::methyl (3R,3aR)-2-benzoyl-3-[(4-fluorophenyl)methyl]-4-methylidene-5-oxo-1,3a-dihydrocyclopenta[c]pyrrole-3-carboxylate::methyl (3R,3aR)-3-[(4-fluorophenyl)methyl]-4-methylidene-5-oxidanylidene-2-(phenylcarbonyl)-1,3a-dihydrocyclopenta[c]pyrrole-3-carboxylate

SMILES COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]2C(CN1C(=O)c1ccccc1)=CC(=O)C2=C

InChI Key InChIKey=OAFVCCUNRXBEEH-UHFFFAOYSA-N

Data  4 IC50  2 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 6 hits for monomerid = 46781   

TargetIon channel NompC(Zebrafish)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46781(SMR000388767 | (3R,3aR)-2-benzoyl-3-[(4-fluorophen...)
Affinity DataEC50: >1.11E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetMucolipin-3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46781(SMR000388767 | (3R,3aR)-2-benzoyl-3-[(4-fluorophen...)
Affinity DataEC50:  1.12E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 4(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46781(SMR000388767 | (3R,3aR)-2-benzoyl-3-[(4-fluorophen...)
Affinity DataIC50: 3.70E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM46781(SMR000388767 | (3R,3aR)-2-benzoyl-3-[(4-fluorophen...)
Affinity DataIC50: 820nMAssay 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
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM46781(SMR000388767 | (3R,3aR)-2-benzoyl-3-[(4-fluorophen...)
Affinity DataIC50: 770nMAssay 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
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM46781(SMR000388767 | (3R,3aR)-2-benzoyl-3-[(4-fluorophen...)
Affinity DataIC50: 820nMAssay 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