BDBM50003359 5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2,3,6-tetrahydro-pyridine; oxalic acid::5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridine::CHEMBL21536::CHEMBL73149::LY 246708::Xanomeline

SMILES CCCCCCOc1nsnc1C1=CCCN(C)C1

InChI Key InChIKey=JOLJIIDDOBNFHW-UHFFFAOYSA-N

Data  40 KI  24 IC50  23 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50003359   

TargetMuscarinic acetylcholine receptor M1(RAT)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50003359(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Affinity DataIC50:  7nMAssay Description:Displacement of [3H]-pirenzepine (Pz) from rat hippocampus muscarinic acetylcholine receptor M1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50003359(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Affinity DataIC50:  0.00800nMAssay Description:Efficacy at muscarinic acetylcholine receptor M1 measured by the ability to inhibit the electrically stimulated twitch of the rabbit vas deferensMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1(RAT)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50003359(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Affinity DataIC50:  2nMAssay Description:Binding activity against muscarinic acetylcholine receptor M1 in rat brain, using [3H]OXO-M as the radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1(RAT)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50003359(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Affinity DataIC50:  2nMAssay Description:Binding affinity for muscarinic acetylcholine receptor M1 using [3H]-oxotremorine-M (Oxo-M) radioligand in rat hippocampus membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50003359(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Affinity DataEC50:  200nMAssay Description:Effective concentration required for stimulation of phosphoinositol (PI) hydrolysis in the A9 L cell line transfected with the Muscarinic acetylcholi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1(RAT)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50003359(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Affinity DataIC50:  5nMAssay Description:Binding affinity for muscarinic acetylcholine receptor M1 using [3H]-Pirenzepine (Pz) radioligand in rat hippocampus membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50003359(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Affinity DataEC50:  67nMAssay Description:Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50003359(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Affinity DataEC50:  121nMAssay Description:Agonist activity at human muscarinic M2 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50003359(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Affinity DataEC50:  229nMAssay Description:Agonist activity at human muscarinic M4 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assayMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50003359(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Affinity DataEC50:  142nMAssay Description:Agonist activity at human muscarinic M5 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1(RAT)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50003359(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Affinity DataIC50:  5nMAssay Description:Binding activity against muscarinic acetylcholine receptor M1 in rat brain, using [3H]-Pz as the radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1(RAT)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50003359(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Affinity DataIC50:  9.70nMAssay Description:Displacement of [3H]-oxotremorine-M (Oxo-M) from rat hippocampus muscarinic acetylcholine receptor M1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed