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 CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21

InChI Key InChIKey=IYGYMKDQCDOMRE-ZWKOTPCHSA-N

Data  13 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50000693   

TargetGamma-aminobutyric acid receptor subunit alpha-2(Homo sapiens (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...)
Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21
Show InChI InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
Affinity DataKi:  1.86E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3(Homo sapiens (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...)
Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21
Show InChI InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
Affinity DataKi:  2.82E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-5(Homo sapiens (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...)
Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21
Show InChI InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
Affinity DataKi:  4.47E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (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...)
Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21
Show InChI InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
Affinity DataKi:  4.57E+3nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (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...)
Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21
Show InChI InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
Affinity DataKi:  4.57E+3nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid type B receptor subunit 1(Rattus norvegicus (Rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50000693((R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxol...)
Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21
Show InChI InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
Affinity DataKi:  6.20E+3nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Vanderbilt University

Curated by PDSP Ki Database
LigandPNGBDBM50000693((R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxol...)
Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21
Show InChI InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Vanderbilt University

Curated by PDSP Ki Database
LigandPNGBDBM50000693((R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxol...)
Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21
Show InChI InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Vanderbilt University

Curated by PDSP Ki Database
LigandPNGBDBM50000693((R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxol...)
Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21
Show InChI InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Mayo Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50000693((R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxol...)
Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21
Show InChI InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
LigandPNGBDBM50000693((R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxol...)
Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21
Show InChI InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (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...)
Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21
Show InChI InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-6(Homo sapiens (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...)
Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21
Show InChI InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGamma-aminobutyric acid receptor subunit gamma-1(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50000693((R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxol...)
Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21
Show InChI InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
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