null

SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1

InChI Key InChIKey=ALSKYCOJJPXPFS-BBRMVZONSA-N

PDB links: 1 PDB ID matches this monomer.

  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 15 hits for monomerid = 50143313   

TargetNicotinic acetylcholine receptor(RAT)
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50143313((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)copy SMILEScopy InChI
Affinity DataKi:  130nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XG9PQXPubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rattus norvegicus (Rat))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50143313((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)copy SMILEScopy InChI
Affinity DataKi:  140nMAssay Description:Inhibition of rat membrane alpha4beta2 nAChR by [3H]cytisine binding assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W95D5WPubMed
TargetNeuronal acetylcholine receptor subunit alpha-4(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50143313((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)copy SMILEScopy InChI
Affinity DataKi:  600nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XG9PQXPubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rattus norvegicus (Rat))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50143313((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)copy SMILEScopy InChI
Affinity DataKi:  820nMAssay Description:Displacement of [3H]epibatidine from rat alpha4beta2 nAChR transfected in HEK293 cells after 4 hrs by scintillation count analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W95D5WPubMed
TargetNeuronal acetylcholine receptor subunit alpha-3(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50143313((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)copy SMILEScopy InChI
Affinity DataKi:  3.80E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XG9PQXPubMed
TargetNeuronal acetylcholine receptor subunit alpha-2(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50143313((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)copy SMILEScopy InChI
Affinity DataKi:  6.20E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XG9PQXPubMed
TargetNeuronal acetylcholine receptor subunit alpha-4(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50143313((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XG9PQXPubMed
TargetNeuronal acetylcholine receptor subunit alpha-2(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50143313((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XG9PQXPubMed
TargetNeuronal acetylcholine receptor subunit alpha-4(Homo sapiens (Human))
Barrow Neurological Institute

Curated by PDSP Ki Database
LigandPNGBDBM50143313((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0S2VPubMed
TargetNeuronal acetylcholine receptor subunit alpha-3(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50143313((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XG9PQXPubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-4(Rattus norvegicus (Rat))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50143313((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)copy SMILEScopy InChI
Affinity DataKi:  1.00E+5nMAssay Description:Displacement of [3H]epibatidine from rat alpha4beta4 nAChR transfected in HEK293 cells after 4 hrs by scintillation count analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W95D5WPubMed
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Rattus norvegicus (Rat))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50143313((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)copy SMILEScopy InChI
Affinity DataKi:  1.00E+5nMAssay Description:Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 4 hrs by scintillation count analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W95D5WPubMed
TargetNeuronal acetylcholine receptor subunit alpha-4(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50143313((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)copy SMILEScopy InChI
Affinity DataIC50: 3.70nMAssay Description:Blockade of Nicotinic acetylcholine receptor alpha4-beta2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WW7H3VPubMed
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Rattus norvegicus (Rat))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50143313((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Antagonist activity at rat alpha3beta4 nAChR transfected in HEK293 cells by FLIPR membrane potential blue (FMP) assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W95D5WPubMed
TargetNeuronal acetylcholine receptor subunit beta-2(Mus musculus)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50143313((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+3nMAssay Description:Antagonist activity at mouse alpha4beta2 nAChR transfected in HEK293 cells by FLIPR membrane potential blue (FMP) assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W95D5WPubMed