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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1' and Ligand = 'BDBM50280558'   
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


(RAT)
BDBM50280558
PNG
(2-Ethyl-8-methyl-8-aza-spiro[4.5]decane-1,3-dione ...)
Show SMILES CCC1C(=O)CC2(CCN(C)CC2)C1=O
Show InChI InChI=1S/C12H19NO2/c1-3-9-10(14)8-12(11(9)15)4-6-13(2)7-5-12/h9H,3-8H2,1-2H3
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
87n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro 100 nM cortex affinity to displace [3H]- -pirenzepine providing a measure of muscarinic m1 receptor antagonist affinity


Bioorg Med Chem Lett 2: 815-820 (1992)


Article DOI: 10.1016/S0960-894X(00)80537-5
BindingDB Entry DOI: 10.7270/Q23X8734
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50280558
PNG
(2-Ethyl-8-methyl-8-aza-spiro[4.5]decane-1,3-dione ...)
Show SMILES CCC1C(=O)CC2(CCN(C)CC2)C1=O
Show InChI InChI=1S/C12H19NO2/c1-3-9-10(14)8-12(11(9)15)4-6-13(2)7-5-12/h9H,3-8H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
765n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro 100 nM cortex affinity to displace [3H]- -pirenzepine providing a measure of muscarinic m1 receptor antagonist affinity


Bioorg Med Chem Lett 2: 815-820 (1992)


Article DOI: 10.1016/S0960-894X(00)80537-5
BindingDB Entry DOI: 10.7270/Q23X8734
More data for this
Ligand-Target Pair