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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Monomerid = 50034873   
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 M3


(Cavia porcellus)
BDBM50034873
PNG
((S)-(4-Fluoromethyl-phenyl)-hydroxy-phenyl-acetic ...)
Show SMILES O[C@@](C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccc(CF)cc1
Show InChI InChI=1S/C22H24FNO3/c23-14-16-6-8-19(9-7-16)22(26,18-4-2-1-3-5-18)21(25)27-20-15-24-12-10-17(20)11-13-24/h1-9,17,20,26H,10-15H2/t20?,22-/m0/s1
MMDB

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KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
39n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity against guinea pig ileum using [3H]-N-methylscopolamine


J Med Chem 38: 1711-9 (1995)


Article DOI: 10.1021/jm00010a016
BindingDB Entry DOI: 10.7270/Q2PV6JDQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50034873
PNG
((S)-(4-Fluoromethyl-phenyl)-hydroxy-phenyl-acetic ...)
Show SMILES O[C@@](C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccc(CF)cc1
Show InChI InChI=1S/C22H24FNO3/c23-14-16-6-8-19(9-7-16)22(26,18-4-2-1-3-5-18)21(25)27-20-15-24-12-10-17(20)11-13-24/h1-9,17,20,26H,10-15H2/t20?,22-/m0/s1
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
39n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity against guinea pig ileum using [3H]-N-methylscopolamine


J Med Chem 38: 1711-9 (1995)


Article DOI: 10.1021/jm00010a016
BindingDB Entry DOI: 10.7270/Q2PV6JDQ
More data for this
Ligand-Target Pair