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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1/M2/M3/M4/M5' and Ligand = 'BDBM50034651'   
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/M2/M3/M4/M5


(RAT)
BDBM50034651
PNG
(2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one | C...)
Show SMILES CC1OC2(CC1=O)CCN(C)CC2
Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
6.70n/an/an/an/an/an/an/an/a



Astra Arcus USA

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.


J Med Chem 41: 4181-5 (1998)


Article DOI: 10.1021/jm980192x
BindingDB Entry DOI: 10.7270/Q2PV6P3B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50034651
PNG
(2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one | C...)
Show SMILES CC1OC2(CC1=O)CCN(C)CC2
Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.68E+3n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.


J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair