null

SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(C=C=C)ccc-21

InChI Key InChIKey=LJRIFLWERUHAIZ-UHFFFAOYSA-N

  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 14 hits for monomerid = 50049737   

TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50049737(5-Methyl-6-oxo-8-propa-1,2-dienyl-5,6-dihydro-4H-2...)copy SMILEScopy InChI
Affinity DataKi:  1.10nMAssay Description:Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W37VFJPubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50049737(5-Methyl-6-oxo-8-propa-1,2-dienyl-5,6-dihydro-4H-2...)copy SMILEScopy InChI
Affinity DataKi:  1.10nMAssay Description:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-5-beta-3-gamma-2More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2W37X0JPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50049737(5-Methyl-6-oxo-8-propa-1,2-dienyl-5,6-dihydro-4H-2...)copy SMILEScopy InChI
Affinity DataKi:  3.80nMAssay Description:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2W37X0JPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Homo sapiens (Human))
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50049737(5-Methyl-6-oxo-8-propa-1,2-dienyl-5,6-dihydro-4H-2...)copy SMILEScopy InChI
Affinity DataKi:  3.80nMAssay Description:Binding affinity for human GABA-A receptor alpha-1-beta-2-gamma-2 expressed in L(tk-) cell membranesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K35SR6PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50049737(5-Methyl-6-oxo-8-propa-1,2-dienyl-5,6-dihydro-4H-2...)copy SMILEScopy InChI
Affinity DataKi:  3.80nMAssay Description:Binding affinity against alpha1-beta3-gamma2 GABAA/BzR receptor subtype.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W37VFJPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50049737(5-Methyl-6-oxo-8-propa-1,2-dienyl-5,6-dihydro-4H-2...)copy SMILEScopy InChI
Affinity DataKi:  4.10nMAssay Description:Binding affinity against alpha3-beta3-gamma2 GABAA/BzR receptor subtype.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W37VFJPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2(Homo sapiens (Human))
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50049737(5-Methyl-6-oxo-8-propa-1,2-dienyl-5,6-dihydro-4H-2...)copy SMILEScopy InChI
Affinity DataKi:  4.10nMAssay Description:Binding affinity for human GABA-A receptor alpha-3-beta-2-gamma-2 expressed in L(tk-) cell membranesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K35SR6PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50049737(5-Methyl-6-oxo-8-propa-1,2-dienyl-5,6-dihydro-4H-2...)copy SMILEScopy InChI
Affinity DataKi:  4.10nMAssay Description:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-3-beta-3-gamma-2More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2W37X0JPubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50049737(5-Methyl-6-oxo-8-propa-1,2-dienyl-5,6-dihydro-4H-2...)copy SMILEScopy InChI
Affinity DataKi:  7.20nMAssay Description:Binding affinity of the compound tested against alpha2-beta3-gamma2 GABAA/BzR receptor subtype.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W37VFJPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2(Homo sapiens (Human))
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50049737(5-Methyl-6-oxo-8-propa-1,2-dienyl-5,6-dihydro-4H-2...)copy SMILEScopy InChI
Affinity DataKi:  7.20nMAssay Description:Binding affinity for human GABA-A receptor alpha-2-beta-2-gamma-2 expressed in L(tk-) cell membranesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K35SR6PubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50049737(5-Methyl-6-oxo-8-propa-1,2-dienyl-5,6-dihydro-4H-2...)copy SMILEScopy InChI
Affinity DataKi:  7.20nMAssay Description:Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2W37X0JPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2(Homo sapiens (Human))
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50049737(5-Methyl-6-oxo-8-propa-1,2-dienyl-5,6-dihydro-4H-2...)copy SMILEScopy InChI
Affinity DataKi:  44nMAssay Description:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-6-beta-3-gamma-2More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2W37X0JPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2(Homo sapiens (Human))
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50049737(5-Methyl-6-oxo-8-propa-1,2-dienyl-5,6-dihydro-4H-2...)copy SMILEScopy InChI
Affinity DataKi:  44nMAssay Description:Binding affinity for human GABA-A receptor alpha-6-beta-2-gamma-2 expressed in L(tk-) cell membranesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K35SR6PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2(Homo sapiens (Human))
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50049737(5-Methyl-6-oxo-8-propa-1,2-dienyl-5,6-dihydro-4H-2...)copy SMILEScopy InChI
Affinity DataKi:  44nMAssay Description:Binding affinity against Gamma-aminobutyric-acid A receptor alpha6-beta3-gamma2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W37VFJPubMed