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BDBM50065213 1-Aza-bicyclo[2.2.1]heptan-3-one O-prop-2-ynyl-oxime::CHEMBL315676

SMILES: C#CCO\N=C1/CN2CCC1C2

InChI Key: InChIKey=NBYBORGTFLJPJT-MDZDMXLPSA-N

Data: 5 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 7 hits for monomerid = 50065213   
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 M2


(Homo sapiens (Human))
BDBM50065213
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-prop-2-ynyl-oxi...)
Show SMILES C#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C9H12N2O/c1-2-5-12-10-9-7-11-4-3-8(9)6-11/h1,8H,3-7H2/b10-9+
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Article
PubMed
n/an/a 6.03E+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 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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50065213
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-prop-2-ynyl-oxi...)
Show SMILES C#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C9H12N2O/c1-2-5-12-10-9-7-11-4-3-8(9)6-11/h1,8H,3-7H2/b10-9+
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n/an/a 4.89E+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


(Homo sapiens (Human))
BDBM50065213
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-prop-2-ynyl-oxi...)
Show SMILES C#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C9H12N2O/c1-2-5-12-10-9-7-11-4-3-8(9)6-11/h1,8H,3-7H2/b10-9+
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n/an/a 9.51E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human Muscarinic acetylcholine receptor M1 using [3H]-quinuclidinyl benzilate to label antagonist site (RQNB) in CHO cell...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50065213
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-prop-2-ynyl-oxi...)
Show SMILES C#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C9H12N2O/c1-2-5-12-10-9-7-11-4-3-8(9)6-11/h1,8H,3-7H2/b10-9+
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n/an/an/an/a 890n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective concentration for HMPA (human muscarinic inositol phosphate accumulation) activity measured in CHO cells expressing Muscarinic acetylcholin...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50065213
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-prop-2-ynyl-oxi...)
Show SMILES C#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C9H12N2O/c1-2-5-12-10-9-7-11-4-3-8(9)6-11/h1,8H,3-7H2/b10-9+
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Article
n/an/a 1.04E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human Muscarinic acetylcholine receptor M2 using [3H]-quinuclidinyl benzilate to label antagonist site (RQNB) in CHO cell...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50065213
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-prop-2-ynyl-oxi...)
Show SMILES C#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C9H12N2O/c1-2-5-12-10-9-7-11-4-3-8(9)6-11/h1,8H,3-7H2/b10-9+
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n/an/a 3.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]cis-methyldioxolane binding to label agonist sites (RCMD) in rat neocortex


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50065213
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-prop-2-ynyl-oxi...)
Show SMILES C#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C9H12N2O/c1-2-5-12-10-9-7-11-4-3-8(9)6-11/h1,8H,3-7H2/b10-9+
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Article
n/an/an/an/a 8.40E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective concentration for MIPA (muscarinic-stimulated inositol phosphate accumulation) activity in SK-N-SH neuroblastoma cells expressing human mus...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair