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SMILES: O=C1Nc2cccnc2N(C(=S)CC2CCCN3CCCC[C@@H]23)c2ccccc12

InChI Key: InChIKey=AGKOAFGRVCVBFH-CVMIBEPCSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50082335   
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


(RAT)
BDBM50082335
PNG
(11-((S)-2-Octahydro-quinolizin-1-yl-thioacetyl)-5,...)
Show SMILES O=C1Nc2cccnc2N(C(=S)CC2CCCN3CCCC[C@@H]23)c2ccccc12
Show InChI InChI=1S/C23H26N4OS/c28-23-17-8-1-2-11-20(17)27(22-18(25-23)9-5-12-24-22)21(29)15-16-7-6-14-26-13-4-3-10-19(16)26/h1-2,5,8-9,11-12,16,19H,3-4,6-7,10,13-15H2,(H,25,28)/t16?,19-/m0/s1
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PC sid
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PubMed
n/an/a 10n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche - Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine binding to muscarinic M1 receptor in brain cortex of rat.


Bioorg Med Chem Lett 9: 3031-4 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TD2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50082335
PNG
(11-((S)-2-Octahydro-quinolizin-1-yl-thioacetyl)-5,...)
Show SMILES O=C1Nc2cccnc2N(C(=S)CC2CCCN3CCCC[C@@H]23)c2ccccc12
Show InChI InChI=1S/C23H26N4OS/c28-23-17-8-1-2-11-20(17)27(22-18(25-23)9-5-12-24-22)21(29)15-16-7-6-14-26-13-4-3-10-19(16)26/h1-2,5,8-9,11-12,16,19H,3-4,6-7,10,13-15H2,(H,25,28)/t16?,19-/m0/s1
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PC cid
PC sid
UniChem

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PubMed
n/an/a 760n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche - Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-methylscopolamine binding to muscarinic M2 receptor in rat heart.


Bioorg Med Chem Lett 9: 3031-4 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TD2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50082335
PNG
(11-((S)-2-Octahydro-quinolizin-1-yl-thioacetyl)-5,...)
Show SMILES O=C1Nc2cccnc2N(C(=S)CC2CCCN3CCCC[C@@H]23)c2ccccc12
Show InChI InChI=1S/C23H26N4OS/c28-23-17-8-1-2-11-20(17)27(22-18(25-23)9-5-12-24-22)21(29)15-16-7-6-14-26-13-4-3-10-19(16)26/h1-2,5,8-9,11-12,16,19H,3-4,6-7,10,13-15H2,(H,25,28)/t16?,19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 760n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche - Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-methylscopolamine binding to muscarinic M3 receptor in submaxillary salivary glands of rats.


Bioorg Med Chem Lett 9: 3031-4 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TD2
More data for this
Ligand-Target Pair