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SMILES: C#CCC#CCC#CCO\N=C1/CN2CCC1C2

InChI Key: InChIKey=ARTPBFFTEWVQHK-FOCLMDBBSA-N

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 6 hits for monomerid = 50065210   
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))
BDBM50065210
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-nona-2,5,8-triy...)
Show SMILES C#CCC#CCC#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C15H16N2O/c1-2-3-4-5-6-7-8-11-18-16-15-13-17-10-9-14(15)12-17/h1,14H,3,6,9-13H2/b16-15+
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Article
n/an/a 2.03E+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 M2


(Homo sapiens (Human))
BDBM50065210
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-nona-2,5,8-triy...)
Show SMILES C#CCC#CCC#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C15H16N2O/c1-2-3-4-5-6-7-8-11-18-16-15-13-17-10-9-14(15)12-17/h1,14H,3,6,9-13H2/b16-15+
PDB

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PubMed
n/an/a 2.18E+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))
BDBM50065210
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-nona-2,5,8-triy...)
Show SMILES C#CCC#CCC#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C15H16N2O/c1-2-3-4-5-6-7-8-11-18-16-15-13-17-10-9-14(15)12-17/h1,14H,3,6,9-13H2/b16-15+
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n/an/an/an/a 5.10E+3n/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))
BDBM50065210
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-nona-2,5,8-triy...)
Show SMILES C#CCC#CCC#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C15H16N2O/c1-2-3-4-5-6-7-8-11-18-16-15-13-17-10-9-14(15)12-17/h1,14H,3,6,9-13H2/b16-15+
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
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Article
n/an/a 2.18E+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 M1/M2/M3/M4/M5


(RAT)
BDBM50065210
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-nona-2,5,8-triy...)
Show SMILES C#CCC#CCC#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C15H16N2O/c1-2-3-4-5-6-7-8-11-18-16-15-13-17-10-9-14(15)12-17/h1,14H,3,6,9-13H2/b16-15+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

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Article
n/an/a 8n/an/an/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 M1


(Homo sapiens (Human))
BDBM50065210
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-nona-2,5,8-triy...)
Show SMILES C#CCC#CCC#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C15H16N2O/c1-2-3-4-5-6-7-8-11-18-16-15-13-17-10-9-14(15)12-17/h1,14H,3,6,9-13H2/b16-15+
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.03E+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