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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-UHFFFAOYNA-N

Data: 5 KI  1 IC50  2 EC50

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 8 hits for monomerid = 50072228   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50072228
PNG
(3-[4-(3-Phenyl-prop-2-ynyloxy)-[1,2,5]thiadiazol-3...)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccccc1
Show InChI InChI=1/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
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PubMed
41.7n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 1260-8 (2001)


BindingDB Entry DOI: 10.7270/Q26M35D8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50072228
PNG
(3-[4-(3-Phenyl-prop-2-ynyloxy)-[1,2,5]thiadiazol-3...)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccccc1
Show InChI InChI=1/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
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PubMed
58.9n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 1260-8 (2001)


BindingDB Entry DOI: 10.7270/Q26M35D8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50072228
PNG
(3-[4-(3-Phenyl-prop-2-ynyloxy)-[1,2,5]thiadiazol-3...)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccccc1
Show InChI InChI=1/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
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PubMed
77.6n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 1260-8 (2001)


BindingDB Entry DOI: 10.7270/Q26M35D8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50072228
PNG
(3-[4-(3-Phenyl-prop-2-ynyloxy)-[1,2,5]thiadiazol-3...)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccccc1
Show InChI InChI=1/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
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Article
PubMed
n/an/a 4.70n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligand


Bioorg Med Chem Lett 8: 2897-902 (1999)


Article DOI: 10.1016/s0960-894x(98)00509-5
BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
CHRM5


(Homo sapiens (Human))
BDBM50072228
PNG
(3-[4-(3-Phenyl-prop-2-ynyloxy)-[1,2,5]thiadiazol-3...)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccccc1
Show InChI InChI=1/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
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PubMed
14.8n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 1260-8 (2001)


BindingDB Entry DOI: 10.7270/Q26M35D8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50072228
PNG
(3-[4-(3-Phenyl-prop-2-ynyloxy)-[1,2,5]thiadiazol-3...)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccccc1
Show InChI InChI=1/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
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/an/an/a 16n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Stimulation of phosphoinositide hydrolysis in A9L cells expressing human m1 receptor


Bioorg Med Chem Lett 8: 2897-902 (1999)


Article DOI: 10.1016/s0960-894x(98)00509-5
BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50072228
PNG
(3-[4-(3-Phenyl-prop-2-ynyloxy)-[1,2,5]thiadiazol-3...)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccccc1
Show InChI InChI=1/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
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/an/an/a 62n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Stimulation of cAMP in CHO cells expressing human m2 receptor


Bioorg Med Chem Lett 8: 2897-902 (1999)


Article DOI: 10.1016/s0960-894x(98)00509-5
BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50072228
PNG
(3-[4-(3-Phenyl-prop-2-ynyloxy)-[1,2,5]thiadiazol-3...)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccccc1
Show InChI InChI=1/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
Reactome pathway
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PubMed
49n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 1260-8 (2001)


BindingDB Entry DOI: 10.7270/Q26M35D8
More data for this
Ligand-Target Pair