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.

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 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gamma-aminobutyric acid receptor subunit gamma-1 (Rat)	BDBM50000693 ((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Human)	BDBM50000693 ((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES Show InChI	GoogleScholar	UniChem		1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (Human)	BDBM50000693 ((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES Show InChI	GoogleScholar	UniChem		2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Human)	BDBM50000693 ((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES Show InChI	GoogleScholar	UniChem		4.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Human)	BDBM50000693 ((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES Show InChI	GoogleScholar	UniChem		4.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Human)	BDBM50000693 ((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES Show InChI	GoogleScholar	UniChem		4.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1 (Rat)	BDBM50000693 ((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES Show InChI	GoogleScholar	UniChem		6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					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 Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histamine H1 receptor (Human)	BDBM50000693 ((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rat)	BDBM50000693 ((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rat)	BDBM50000693 ((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rat)	BDBM50000693 ((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Human)	BDBM50000693 ((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6 (Human)	BDBM50000693 ((R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair