BDBM39696 (E)-3-[5-(1-azepanyl)-2-furanyl]-2-(4-chlorophenyl)-2-propenenitrile::(E)-3-[5-(azepan-1-yl)-2-furyl]-2-(4-chlorophenyl)acrylonitrile::(E)-3-[5-(azepan-1-yl)furan-2-yl]-2-(4-chlorophenyl)prop-2-enenitrile::3-[5-(1-azepanyl)-2-furyl]-2-(4-chlorophenyl)acrylonitrile::MLS000536389::SMR000143426::cid_2201553

SMILES Clc1ccc(cc1)C(=C/c1ccc(o1)N1CCCCCC1)\C#N

InChI Key InChIKey=GARHAARZTBYLAL-UHFFFAOYSA-N

Data  2 IC50  1 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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 39696   

TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39696(SMR000143426 | (E)-3-[5-(1-azepanyl)-2-furanyl]-2-...)
Affinity DataIC50: 4.77E+3nMAssay Description:Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, germ cell type(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39696(SMR000143426 | (E)-3-[5-(1-azepanyl)-2-furanyl]-2-...)
Affinity DataEC50:  9.99E+5nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, germ cell type(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39696(SMR000143426 | (E)-3-[5-(1-azepanyl)-2-furanyl]-2-...)
Affinity DataIC50: 9.99E+5nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay