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 or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50000693   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
GABA A Alpha2Beta1Gamma2 (Homo sapiens (Human))	BDBM50000693 ((R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21 |r| 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	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 52: 1150-6 (1997) BindingDB Entry DOI: 10.7270/Q29C6VZC
					More data for this Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50000693 ((R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 52: 1150-6 (1997) BindingDB Entry DOI: 10.7270/Q29C6VZC
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A)) (Homo sapiens (Human))	BDBM50000693 ((R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	4.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 52: 1150-6 (1997) BindingDB Entry DOI: 10.7270/Q29C6VZC
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50000693 ((R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	4.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 52: 1150-6 (1997) BindingDB Entry DOI: 10.7270/Q29C6VZC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50000693 ((R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	4.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 52: 1150-6 (1997) BindingDB Entry DOI: 10.7270/Q29C6VZC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1 (Rattus norvegicus (Rat))	BDBM50000693 ((R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21 |r| 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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									J Neurochem 32: 713-8 (1979) Article DOI: 10.1111/j.1471-4159.1979.tb04553.x BindingDB Entry DOI: 10.7270/Q29W0D0B
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50000693 ((R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by PDSP Ki Database									Synapse 15: 169-76 (1993) Article DOI: 10.1002/syn.890150302 BindingDB Entry DOI: 10.7270/Q2MS3R8Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50000693 ((R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by PDSP Ki Database									Synapse 15: 169-76 (1993) Article DOI: 10.1002/syn.890150302 BindingDB Entry DOI: 10.7270/Q2MS3R8Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50000693 ((R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by PDSP Ki Database									Synapse 15: 169-76 (1993) Article DOI: 10.1002/syn.890150302 BindingDB Entry DOI: 10.7270/Q2MS3R8Z
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50000693 ((R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation Curated by PDSP Ki Database									Brain Res 304: 1-7 (1984) Article DOI: 10.1016/0006-8993(84)90856-4 BindingDB Entry DOI: 10.7270/Q21N7ZMS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50000693 ((R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21 |r| 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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 81: 4983-7 (1984) Article DOI: 10.1073/pnas.81.15.4983 BindingDB Entry DOI: 10.7270/Q2JM284N
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50000693 ((R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 52: 1150-6 (1997) BindingDB Entry DOI: 10.7270/Q29C6VZC
					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA A receptor alpha-6/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50000693 ((R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21 |r| 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 52: 1150-6 (1997) BindingDB Entry DOI: 10.7270/Q29C6VZC
					More data for this Ligand-Target Pair
GABA receptor gamma-1 subunit (Rattus norvegicus)	BDBM50000693 ((R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21 |r| 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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Percent displacement of [3H]-GABA at Gamma-aminobutyric-acid receptor in rat brain membranes at 0.01 uM				J Med Chem 23: 1142-4 (1980) BindingDB Entry DOI: 10.7270/Q25M64R5
					More data for this Ligand-Target Pair