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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1' and Monomerid = 50128241   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50128241
PNG
(CHEMBL69452 | endo-8-Benzyloxymethyl-4-hydroxy-1-a...)
Show SMILES CCOC(=O)C1CN2CC(CCC2COCc2ccccc2)C1=O
Show InChI InChI=1/C19H25NO4/c1-2-24-19(22)17-11-20-10-15(18(17)21)8-9-16(20)13-23-12-14-6-4-3-5-7-14/h3-7,15-17H,2,8-13H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
250n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined towards human Muscarinic acetylcholine receptor M1 using [3H]-QNB radioligand


J Med Chem 46: 2216-26 (2003)


Article DOI: 10.1021/jm020572p
BindingDB Entry DOI: 10.7270/Q2GB23DS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50128241
PNG
(CHEMBL69452 | endo-8-Benzyloxymethyl-4-hydroxy-1-a...)
Show SMILES CCOC(=O)C1CN2CC(CCC2COCc2ccccc2)C1=O
Show InChI InChI=1/C19H25NO4/c1-2-24-19(22)17-11-20-10-15(18(17)21)8-9-16(20)13-23-12-14-6-4-3-5-7-14/h3-7,15-17H,2,8-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
560n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined towards human Muscarinic acetylcholine receptor M5 using [3H]-QNB radioligand


J Med Chem 46: 2216-26 (2003)


Article DOI: 10.1021/jm020572p
BindingDB Entry DOI: 10.7270/Q2GB23DS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50128241
PNG
(CHEMBL69452 | endo-8-Benzyloxymethyl-4-hydroxy-1-a...)
Show SMILES CCOC(=O)C1CN2CC(CCC2COCc2ccccc2)C1=O
Show InChI InChI=1/C19H25NO4/c1-2-24-19(22)17-11-20-10-15(18(17)21)8-9-16(20)13-23-12-14-6-4-3-5-7-14/h3-7,15-17H,2,8-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined towards human Muscarinic acetylcholine receptor M5 using [3H]-QNB radioligand


J Med Chem 46: 2216-26 (2003)


Article DOI: 10.1021/jm020572p
BindingDB Entry DOI: 10.7270/Q2GB23DS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50128241
PNG
(CHEMBL69452 | endo-8-Benzyloxymethyl-4-hydroxy-1-a...)
Show SMILES CCOC(=O)C1CN2CC(CCC2COCc2ccccc2)C1=O
Show InChI InChI=1/C19H25NO4/c1-2-24-19(22)17-11-20-10-15(18(17)21)8-9-16(20)13-23-12-14-6-4-3-5-7-14/h3-7,15-17H,2,8-13H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.60E+3n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined towards human Muscarinic acetylcholine receptor M1 using [3H]-QNB radioligand


J Med Chem 46: 2216-26 (2003)


Article DOI: 10.1021/jm020572p
BindingDB Entry DOI: 10.7270/Q2GB23DS
More data for this
Ligand-Target Pair