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BDBM50228614 CHEMBL51405

SMILES: CC1CCC(=O)N1CC#CCN1CCCC1

InChI Key: InChIKey=BZCOASIWPFVBQZ-UHFFFAOYNA-N

Data: 4 KI  2 Kd

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 = 50228614   
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


(RAT)
BDBM50228614
PNG
(CHEMBL51405)
Show SMILES CC1CCC(=O)N1CC#CCN1CCCC1
Show InChI InChI=1/C13H20N2O/c1-12-6-7-13(16)15(12)11-5-4-10-14-8-2-3-9-14/h12H,2-3,6-11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
BindingDB Entry DOI: 10.7270/Q2057J5V
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50228614
PNG
(CHEMBL51405)
Show SMILES CC1CCC(=O)N1CC#CCN1CCCC1
Show InChI InChI=1/C13H20N2O/c1-12-6-7-13(16)15(12)11-5-4-10-14-8-2-3-9-14/h12H,2-3,6-11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
14n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]QNB radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
BindingDB Entry DOI: 10.7270/Q2057J5V
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50228614
PNG
(CHEMBL51405)
Show SMILES CC1CCC(=O)N1CC#CCN1CCCC1
Show InChI InChI=1/C13H20N2O/c1-12-6-7-13(16)15(12)11-5-4-10-14-8-2-3-9-14/h12H,2-3,6-11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
56n/an/an/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-methylscopolamine binding to muscarinic acetylcholine receptor of rat cerebral cortex.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
BindingDB Entry DOI: 10.7270/Q28G8NXX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50228614
PNG
(CHEMBL51405)
Show SMILES CC1CCC(=O)N1CC#CCN1CCCC1
Show InChI InChI=1/C13H20N2O/c1-12-6-7-13(16)15(12)11-5-4-10-14-8-2-3-9-14/h12H,2-3,6-11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
56n/an/an/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of (-)-[3H]-NMS to Muscarinic acetylcholine receptor of rat cerebral cortex was determined


J Med Chem 33: 580-4 (1990)


Article DOI: 10.1021/jm00164a018
BindingDB Entry DOI: 10.7270/Q2GB2687
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50228614
PNG
(CHEMBL51405)
Show SMILES CC1CCC(=O)N1CC#CCN1CCCC1
Show InChI InChI=1/C13H20N2O/c1-12-6-7-13(16)15(12)11-5-4-10-14-8-2-3-9-14/h12H,2-3,6-11H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 93n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Determination of dissociation constant from antimuscarinic activity on isolated guinea pig ileum.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
BindingDB Entry DOI: 10.7270/Q28G8NXX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50228614
PNG
(CHEMBL51405)
Show SMILES CC1CCC(=O)N1CC#CCN1CCCC1
Show InChI InChI=1/C13H20N2O/c1-12-6-7-13(16)15(12)11-5-4-10-14-8-2-3-9-14/h12H,2-3,6-11H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 93n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Dissociation constant of the drug-Muscarinic acetylcholine receptor complex.


J Med Chem 33: 580-4 (1990)


Article DOI: 10.1021/jm00164a018
BindingDB Entry DOI: 10.7270/Q2GB2687
More data for this
Ligand-Target Pair