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-XUZZJYLKSA-N

Data  4 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 6 hits for monomerid = 46781   

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

Curated by PubChem BioAssay
LigandPNGBDBM46781((3R,3aR)-2-benzoyl-3-(4-fluorobenzyl)-5-keto-4-met...)
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 DepthDetails PCBioAssay
TargetMucolipin-3(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46781((3R,3aR)-2-benzoyl-3-(4-fluorobenzyl)-5-keto-4-met...)
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 DepthDetails PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM46781((3R,3aR)-2-benzoyl-3-(4-fluorobenzyl)-5-keto-4-met...)
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 DepthDetails PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM46781((3R,3aR)-2-benzoyl-3-(4-fluorobenzyl)-5-keto-4-met...)
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 DepthDetails PCBioAssay
TargetX-box-binding protein 1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM46781((3R,3aR)-2-benzoyl-3-(4-fluorobenzyl)-5-keto-4-met...)
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 DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 4(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46781((3R,3aR)-2-benzoyl-3-(4-fluorobenzyl)-5-keto-4-met...)
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 DepthDetails PCBioAssay