BDBM50072228 3-[4-(3-Phenyl-prop-2-ynyloxy)-[1,2,5]thiadiazol-3-yl]-1-aza-bicyclo[2.2.2]octane::CHEMBL99521::NNC 11-1314

SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccccc1

InChI Key InChIKey=SNSMIIQEKVYNOH-UHFFFAOYSA-N

Data  5 KI  1 IC50  2 EC50

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 8 hits for monomerid = 50072228   

TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
University of Melbourne

Curated by PDSP Ki Database
LigandPNGBDBM50072228(3-[4-(3-Phenyl-prop-2-ynyloxy)-[1,2,5]thiadiazol-3...)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccccc1
Show InChI InChI=1S/C18H19N3OS/c1-2-5-14(6-3-1)7-4-12-22-18-17(19-23-20-18)16-13-21-10-8-15(16)9-11-21/h1-3,5-6,15-16H,8-13H2
Affinity DataKi:  14.8nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
University of Melbourne

Curated by PDSP Ki Database
LigandPNGBDBM50072228(3-[4-(3-Phenyl-prop-2-ynyloxy)-[1,2,5]thiadiazol-3...)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccccc1
Show InChI InChI=1S/C18H19N3OS/c1-2-5-14(6-3-1)7-4-12-22-18-17(19-23-20-18)16-13-21-10-8-15(16)9-11-21/h1-3,5-6,15-16H,8-13H2
Affinity DataKi:  41.7nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
University of Melbourne

Curated by PDSP Ki Database
LigandPNGBDBM50072228(3-[4-(3-Phenyl-prop-2-ynyloxy)-[1,2,5]thiadiazol-3...)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccccc1
Show InChI InChI=1S/C18H19N3OS/c1-2-5-14(6-3-1)7-4-12-22-18-17(19-23-20-18)16-13-21-10-8-15(16)9-11-21/h1-3,5-6,15-16H,8-13H2
Affinity DataKi:  49nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
University of Melbourne

Curated by PDSP Ki Database
LigandPNGBDBM50072228(3-[4-(3-Phenyl-prop-2-ynyloxy)-[1,2,5]thiadiazol-3...)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccccc1
Show InChI InChI=1S/C18H19N3OS/c1-2-5-14(6-3-1)7-4-12-22-18-17(19-23-20-18)16-13-21-10-8-15(16)9-11-21/h1-3,5-6,15-16H,8-13H2
Affinity DataKi:  58.9nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
University of Melbourne

Curated by PDSP Ki Database
LigandPNGBDBM50072228(3-[4-(3-Phenyl-prop-2-ynyloxy)-[1,2,5]thiadiazol-3...)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccccc1
Show InChI InChI=1S/C18H19N3OS/c1-2-5-14(6-3-1)7-4-12-22-18-17(19-23-20-18)16-13-21-10-8-15(16)9-11-21/h1-3,5-6,15-16H,8-13H2
Affinity DataKi:  77.6nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMuscarinic acetylcholine receptor M1/M2/M3/M4/M5(RAT)
Novo Nordisk A/S

Curated by ChEMBL
LigandPNGBDBM50072228(3-[4-(3-Phenyl-prop-2-ynyloxy)-[1,2,5]thiadiazol-3...)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccccc1
Show InChI InChI=1S/C18H19N3OS/c1-2-5-14(6-3-1)7-4-12-22-18-17(19-23-20-18)16-13-21-10-8-15(16)9-11-21/h1-3,5-6,15-16H,8-13H2
Affinity DataIC50: 4.70nMAssay Description:Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligandMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
University of Melbourne

Curated by PDSP Ki Database
LigandPNGBDBM50072228(3-[4-(3-Phenyl-prop-2-ynyloxy)-[1,2,5]thiadiazol-3...)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccccc1
Show InChI InChI=1S/C18H19N3OS/c1-2-5-14(6-3-1)7-4-12-22-18-17(19-23-20-18)16-13-21-10-8-15(16)9-11-21/h1-3,5-6,15-16H,8-13H2
Affinity DataEC50:  16nMAssay Description:Stimulation of phosphoinositide hydrolysis in A9L cells expressing human m1 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
University of Melbourne

Curated by PDSP Ki Database
LigandPNGBDBM50072228(3-[4-(3-Phenyl-prop-2-ynyloxy)-[1,2,5]thiadiazol-3...)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccccc1
Show InChI InChI=1S/C18H19N3OS/c1-2-5-14(6-3-1)7-4-12-22-18-17(19-23-20-18)16-13-21-10-8-15(16)9-11-21/h1-3,5-6,15-16H,8-13H2
Affinity DataEC50:  62nMAssay Description:Stimulation of cAMP in CHO cells expressing human m2 receptorMore data for this Ligand-Target Pair