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SMILES: Fc1ccccc1C#CCO\N=C1/CN2CCC1C2

InChI Key: InChIKey=OESVJCHGVUTKBW-BMRADRMJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50065208   
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))
BDBM50065208
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-[3-(2-fluoro-ph...)
Show SMILES Fc1ccccc1C#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C15H15FN2O/c16-14-6-2-1-4-12(14)5-3-9-19-17-15-11-18-8-7-13(15)10-18/h1-2,4,6,13H,7-11H2/b17-15+
UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
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Article
PubMed
n/an/a 4.03E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-QNB to CHO cells expressing human Muscarinic acetylcholine receptor M1


J Med Chem 41: 2524-36 (1998)


Article DOI: 10.1021/jm960683m
BindingDB Entry DOI: 10.7270/Q2VD6XKK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50065208
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-[3-(2-fluoro-ph...)
Show SMILES Fc1ccccc1C#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C15H15FN2O/c16-14-6-2-1-4-12(14)5-3-9-19-17-15-11-18-8-7-13(15)10-18/h1-2,4,6,13H,7-11H2/b17-15+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC sid
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n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards muscarinic receptor using [3H]cis-methyldioxolane (CMD) to label agonist sites in membrane preparations from rat neocortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736T2X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50065208
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-[3-(2-fluoro-ph...)
Show SMILES Fc1ccccc1C#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C15H15FN2O/c16-14-6-2-1-4-12(14)5-3-9-19-17-15-11-18-8-7-13(15)10-18/h1-2,4,6,13H,7-11H2/b17-15+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 4.44E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards muscarinic receptor using [3H]quinuclidinyl benzilate (QNB) to label antagonist sites in membrane preparations from rat neoc...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736T2X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50065208
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-[3-(2-fluoro-ph...)
Show SMILES Fc1ccccc1C#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C15H15FN2O/c16-14-6-2-1-4-12(14)5-3-9-19-17-15-11-18-8-7-13(15)10-18/h1-2,4,6,13H,7-11H2/b17-15+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.08E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-QNB to CHO cells expressing human Muscarinic acetylcholine receptor M2


J Med Chem 41: 2524-36 (1998)


Article DOI: 10.1021/jm960683m
BindingDB Entry DOI: 10.7270/Q2VD6XKK
More data for this
Ligand-Target Pair