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SMILES: COC(=O)[C@H]1CC2NC1CC[C@@H]2O

InChI Key: InChIKey=RBNCUEUQSXNQHU-UMULYZNJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50454935   
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
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50454935
PNG
(CHEMBL2115494)
Show SMILES COC(=O)[C@H]1CC2NC1CC[C@@H]2O |r,TLB:2:4:7:11.9.10,THB:12:11:7:4.5|
Show InChI InChI=1S/C9H15NO3/c1-13-9(12)5-4-7-8(11)3-2-6(5)10-7/h5-8,10-11H,2-4H2,1H3/t5-,6?,7?,8-/m0/s1
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MMDB

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PC cid
PC sid
UniChem

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Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]nicotine to Nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortical membranes


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50454935
PNG
(CHEMBL2115494)
Show SMILES COC(=O)[C@H]1CC2NC1CC[C@@H]2O |r,TLB:2:4:7:11.9.10,THB:12:11:7:4.5|
Show InChI InChI=1S/C9H15NO3/c1-13-9(12)5-4-7-8(11)3-2-6(5)10-7/h5-8,10-11H,2-4H2,1H3/t5-,6?,7?,8-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
The compound was evaluated for percentage inhibition of binding of [3H]- nicotine to Nicotinic acetylcholine receptor alpha4-beta2 in Rat Cerebral Co...


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50454935
PNG
(CHEMBL2115494)
Show SMILES COC(=O)[C@H]1CC2NC1CC[C@@H]2O |r,TLB:2:4:7:11.9.10,THB:12:11:7:4.5|
Show InChI InChI=1S/C9H15NO3/c1-13-9(12)5-4-7-8(11)3-2-6(5)10-7/h5-8,10-11H,2-4H2,1H3/t5-,6?,7?,8-/m0/s1
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PubMed
1.20E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in membranes of CHO cells transfected with Muscarinic acetylcholine rece...


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50454935
PNG
(CHEMBL2115494)
Show SMILES COC(=O)[C@H]1CC2NC1CC[C@@H]2O |r,TLB:2:4:7:11.9.10,THB:12:11:7:4.5|
Show InChI InChI=1S/C9H15NO3/c1-13-9(12)5-4-7-8(11)3-2-6(5)10-7/h5-8,10-11H,2-4H2,1H3/t5-,6?,7?,8-/m0/s1
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PubMed
1.20E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M2 in rat cerebral cortical membranes


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50454935
PNG
(CHEMBL2115494)
Show SMILES COC(=O)[C@H]1CC2NC1CC[C@@H]2O |r,TLB:2:4:7:11.9.10,THB:12:11:7:4.5|
Show InChI InChI=1S/C9H15NO3/c1-13-9(12)5-4-7-8(11)3-2-6(5)10-7/h5-8,10-11H,2-4H2,1H3/t5-,6?,7?,8-/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
1.80E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxotremorine M to Muscarinic acetylcholine receptor M1 in rat cerebral cortical membranes


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50454935
PNG
(CHEMBL2115494)
Show SMILES COC(=O)[C@H]1CC2NC1CC[C@@H]2O |r,TLB:2:4:7:11.9.10,THB:12:11:7:4.5|
Show InChI InChI=1S/C9H15NO3/c1-13-9(12)5-4-7-8(11)3-2-6(5)10-7/h5-8,10-11H,2-4H2,1H3/t5-,6?,7?,8-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity versus [3H]oxotremorine M (agonist) binding to Muscarinic acetylcholine receptor M1 in Rat Cerebral Cortical Membranes, (Kd=0.75 nM)


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair