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SMILES: C\C(=C/CO\N=C1/CN2CCC1C2)C#Cc1ccccc1

InChI Key: InChIKey=FYVBKGRFGASYCS-YYWHJSAJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50065226   
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))
BDBM50065226
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-((E)-3-methyl-5...)
Show SMILES C\C(=C/CO\N=C1/CN2CCC1C2)C#Cc1ccccc1
Show InChI InChI=1S/C18H20N2O/c1-15(7-8-16-5-3-2-4-6-16)10-12-21-19-18-14-20-11-9-17(18)13-20/h2-6,10,17H,9,11-14H2,1H3/b15-10+,19-18+
UniProtKB/SwissProt

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Article
PubMed
n/an/a 1.09E+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)
BDBM50065226
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-((E)-3-methyl-5...)
Show SMILES C\C(=C/CO\N=C1/CN2CCC1C2)C#Cc1ccccc1
Show InChI InChI=1S/C18H20N2O/c1-15(7-8-16-5-3-2-4-6-16)10-12-21-19-18-14-20-11-9-17(18)13-20/h2-6,10,17H,9,11-14H2,1H3/b15-10+,19-18+
PDB
MMDB

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KEGG

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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against muscarinic receptor using radioligand [3H]cis-methyldioxolane (CMD) binding assay in membrane preparations of rat neocortex.


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B628P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50065226
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-((E)-3-methyl-5...)
Show SMILES C\C(=C/CO\N=C1/CN2CCC1C2)C#Cc1ccccc1
Show InChI InChI=1S/C18H20N2O/c1-15(7-8-16-5-3-2-4-6-16)10-12-21-19-18-14-20-11-9-17(18)13-20/h2-6,10,17H,9,11-14H2,1H3/b15-10+,19-18+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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UniChem

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n/an/a 1.59E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against muscarinic receptor using radioligand [3H]quinuclidinyl benzilate (QNB) binding assay in membrane preparations of rat neocor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B628P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50065226
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-((E)-3-methyl-5...)
Show SMILES C\C(=C/CO\N=C1/CN2CCC1C2)C#Cc1ccccc1
Show InChI InChI=1S/C18H20N2O/c1-15(7-8-16-5-3-2-4-6-16)10-12-21-19-18-14-20-11-9-17(18)13-20/h2-6,10,17H,9,11-14H2,1H3/b15-10+,19-18+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.93E+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 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