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BDBM50061705 (R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino]-acetonitrile::CHEMBL134641::SB-202026

SMILES: CO\N=C(/C#N)[C@H]1CN2CCC1CC2

InChI Key: InChIKey=IQWCBYSUUOFOMF-QTLFRQQHSA-N

Data: 4 IC50  6 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 10 hits for monomerid = 50061705   
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 and M4


(HUMAN M3)
BDBM50061705
PNG
((R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino...)
Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
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PubMed
n/an/a 90n/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)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50061705
PNG
((R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino...)
Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
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PubMed
n/an/a 60n/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)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (M1)


(Homo sapiens (Human))
BDBM50061705
PNG
((R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino...)
Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
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PubMed
n/an/a 170n/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)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50061705
PNG
((R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino...)
Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
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Article
PubMed
n/an/a 180n/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)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
BDBM50061705
PNG
((R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino...)
Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
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n/an/an/an/a 5.70n/an/an/an/a


TBA

Assay Description
Partial agonist activity at human M4 receptor co-expressed with Galpha16 in CHO cells assessed as calcium mobilization after 60 mins by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50061705
PNG
((R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino...)
Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
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PubMed
n/an/an/an/a 62n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M2 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50061705
PNG
((R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino...)
Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
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PubMed
n/an/an/an/a 117n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M3 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
BDBM50061705
PNG
((R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino...)
Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
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PubMed
n/an/an/an/a 214n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50061705
PNG
((R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino...)
Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
Reactome pathway
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PubMed
n/an/an/an/a 123n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (M1)


(Homo sapiens (Human))
BDBM50061705
PNG
((R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino...)
Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/an/an/a 64n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Citation and Details
More data for this
Ligand-Target Pair