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BDBM50061706 (1-Aza-bicyclo[2.2.1]hept-4-yl)-[(Z)-methoxyimino]-acetonitrile::CHEMBL344892

SMILES: CO\N=C(/C#N)C12CCN(CC1)C2

InChI Key: InChIKey=LRXMLERJAJTUBK-DHZHZOJOSA-N

Data: 6 IC50

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 = 50061706   
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))
BDBM50061706
PNG
((1-Aza-bicyclo[2.2.1]hept-4-yl)-[(Z)-methoxyimino]...)
Show SMILES CO\N=C(/C#N)C12CCN(CC1)C2
Show InChI InChI=1S/C9H13N3O/c1-13-11-8(6-10)9-2-4-12(7-9)5-3-9/h2-5,7H2,1H3/b11-8+
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.65E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity against human Muscarinic acetylcholine receptor M1 using quinuclidynyl benzylate (QNB)


J Med Chem 40: 4265-80 (1998)


Article DOI: 10.1021/jm9702903
BindingDB Entry DOI: 10.7270/Q2S46R2D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50061706
PNG
((1-Aza-bicyclo[2.2.1]hept-4-yl)-[(Z)-methoxyimino]...)
Show SMILES CO\N=C(/C#N)C12CCN(CC1)C2
Show InChI InChI=1S/C9H13N3O/c1-13-11-8(6-10)9-2-4-12(7-9)5-3-9/h2-5,7H2,1H3/b11-8+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity of the compound is evaluated, using quinuclidynyl benzylate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor ...


J Med Chem 40: 4265-80 (1998)


Article DOI: 10.1021/jm9702903
BindingDB Entry DOI: 10.7270/Q2S46R2D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50061706
PNG
((1-Aza-bicyclo[2.2.1]hept-4-yl)-[(Z)-methoxyimino]...)
Show SMILES CO\N=C(/C#N)C12CCN(CC1)C2
Show InChI InChI=1S/C9H13N3O/c1-13-11-8(6-10)9-2-4-12(7-9)5-3-9/h2-5,7H2,1H3/b11-8+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 1.95E+3n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50061706
PNG
((1-Aza-bicyclo[2.2.1]hept-4-yl)-[(Z)-methoxyimino]...)
Show SMILES CO\N=C(/C#N)C12CCN(CC1)C2
Show InChI InChI=1S/C9H13N3O/c1-13-11-8(6-10)9-2-4-12(7-9)5-3-9/h2-5,7H2,1H3/b11-8+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity of the compound is evaluated, using quinuclidynyl benzylate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor ...


J Med Chem 40: 4265-80 (1998)


Article DOI: 10.1021/jm9702903
BindingDB Entry DOI: 10.7270/Q2S46R2D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50061706
PNG
((1-Aza-bicyclo[2.2.1]hept-4-yl)-[(Z)-methoxyimino]...)
Show SMILES CO\N=C(/C#N)C12CCN(CC1)C2
Show InChI InChI=1S/C9H13N3O/c1-13-11-8(6-10)9-2-4-12(7-9)5-3-9/h2-5,7H2,1H3/b11-8+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 19n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50061706
PNG
((1-Aza-bicyclo[2.2.1]hept-4-yl)-[(Z)-methoxyimino]...)
Show SMILES CO\N=C(/C#N)C12CCN(CC1)C2
Show InChI InChI=1S/C9H13N3O/c1-13-11-8(6-10)9-2-4-12(7-9)5-3-9/h2-5,7H2,1H3/b11-8+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 495n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity of the compound is evaluated, using quinuclidynyl benzylate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor ...


J Med Chem 40: 4265-80 (1998)


Article DOI: 10.1021/jm9702903
BindingDB Entry DOI: 10.7270/Q2S46R2D
More data for this
Ligand-Target Pair