BDBM31071 (E)-3-[5-(1-azepanyl)-2-furanyl]-2-(4-fluorophenyl)-2-propenenitrile::(E)-3-[5-(azepan-1-yl)-2-furyl]-2-(4-fluorophenyl)acrylonitrile::(E)-3-[5-(azepan-1-yl)furan-2-yl]-2-(4-fluorophenyl)prop-2-enenitrile::3-[5-(1-azepanyl)-2-furyl]-2-(4-fluorophenyl)acrylonitrile::MLS000051438::SMR000079763::cid_5740802

SMILES Fc1ccc(cc1)C(=C/c1ccc(o1)N1CCCCCC1)\C#N

InChI Key InChIKey=WHLNMNIEBYREDM-SSZFMOIBSA-N

Data  7 IC50  4 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 11 hits for monomerid = 31071   

Target5-hydroxytryptamine receptor 1A(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31071((E)-3-[5-(1-azepanyl)-2-furanyl]-2-(4-fluorophenyl...)
Affinity DataIC50:  1.09E+4nMpH: 7.4 T: 23°CAssay Description:A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
Target5-hydroxytryptamine receptor 1E(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31071((E)-3-[5-(1-azepanyl)-2-furanyl]-2-(4-fluorophenyl...)
Affinity DataIC50:  5.20E+3nMpH: 7.4 T: 23°CAssay Description:To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31071((E)-3-[5-(1-azepanyl)-2-furanyl]-2-(4-fluorophenyl...)
Affinity DataEC50: >1.00E+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 DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31071((E)-3-[5-(1-azepanyl)-2-furanyl]-2-(4-fluorophenyl...)
Affinity DataEC50:  4.40E+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 DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31071((E)-3-[5-(1-azepanyl)-2-furanyl]-2-(4-fluorophenyl...)
Affinity DataEC50:  2.24E+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 DepthDetails PCBioAssay
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM31071((E)-3-[5-(1-azepanyl)-2-furanyl]-2-(4-fluorophenyl...)
Affinity DataEC50:  1.60E+4nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31071((E)-3-[5-(1-azepanyl)-2-furanyl]-2-(4-fluorophenyl...)
Affinity DataIC50:  1.74E+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 DepthDetails PCBioAssay
TargetSteroidogenic factor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31071((E)-3-[5-(1-azepanyl)-2-furanyl]-2-(4-fluorophenyl...)
Affinity DataIC50:  1.85E+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 DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31071((E)-3-[5-(1-azepanyl)-2-furanyl]-2-(4-fluorophenyl...)
Affinity DataIC50:  1.15E+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 DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31071((E)-3-[5-(1-azepanyl)-2-furanyl]-2-(4-fluorophenyl...)
Affinity DataIC50:  9.67E+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 DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31071((E)-3-[5-(1-azepanyl)-2-furanyl]-2-(4-fluorophenyl...)
Affinity DataIC50:  4.69E+3nMAssay Description:External Assay ID: S1P3_IC50_CS_5H1E_Antagonists Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay