BDBM50000693 (R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3',4':3,4]benzo[1,2-d][1,3]dioxol-8-one::(R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuro[5,4-d][1,3]dioxol-8(6H)-one::(bicuculline) 6-Methyl-5-(8-oxo-6,8-dihydro-furo[3',4':3,4]benzo[1,2-d][1,3]dioxol-6-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium::6-(6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3',4':3,4]benzo[1,2-d][1,3]dioxol-8-one::6-(6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3',4':3,4]benzo[1,2-d][1,3]dioxol-8-one (Bicuculline)::6-(6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3',4':3,4]benzo[1,2-d][1,3]dioxol-8-one(bicuculline)::Bicuculline,(+)::CHEMBL417990::bicuculline

SMILES CN1CCc2cc3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3

InChI Key InChIKey=IYGYMKDQCDOMRE-UHFFFAOYSA-N

Data  13 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50000693   

LigandPNGBDBM50000693((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...)
Affinity DataIC50: 3.80E+3nMAssay Description:Percent displacement of [3H]GABA at Gamma-aminobutyric acid receptor in rat brain membranes at 0.01 uMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-2(Human)
Merck Sharp and Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50000693((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...)
Affinity DataKi:  1.86E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/1/2012
Entry Details
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3(Human)
Merck Sharp and Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50000693((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...)
Affinity DataKi:  2.82E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/1/2012
Entry Details
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-5(Human)
Merck Sharp and Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50000693((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...)
Affinity DataKi:  4.47E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/1/2012
Entry Details
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Human)
Merck Sharp and Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50000693((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...)
Affinity DataKi:  4.57E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/1/2012
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetGamma-aminobutyric acid receptor subunit alpha-1(Human)
Merck Sharp and Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50000693((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...)
Affinity DataKi:  4.57E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/1/2012
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50000693((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...)
Affinity DataKi:  6.20E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2011
Entry Details Article
PubMed
LigandPNGBDBM50000693((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2011
Entry Details Article
PubMed
TargetHistamine H1 receptor(Human)
Mayo Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50000693((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2011
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Rat)
Vanderbilt University

Curated by PDSP Ki Database
LigandPNGBDBM50000693((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/2/2012
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Rat)
Vanderbilt University

Curated by PDSP Ki Database
LigandPNGBDBM50000693((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/2/2012
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Rat)
Vanderbilt University

Curated by PDSP Ki Database
LigandPNGBDBM50000693((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/2/2012
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Human)
Merck Sharp and Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50000693((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/1/2012
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetGamma-aminobutyric acid receptor subunit alpha-6(Human)
Merck Sharp and Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50000693((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/1/2012
Entry Details
PubMed