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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1' and Ligand = 'BDBM50005848'   
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)
BDBM50005848
PNG
((2'R)-2'-methylspiro[4-azabicyclo[2.2.2]octane-2,4...)
Show SMILES C[C@@H]1OCC2(CN3CCC2CC3)O1 |wD:1.0,(15.15,-4.25,;14.53,-5.65,;15.3,-6.97,;14.28,-8.13,;12.87,-7.51,;12.87,-9.05,;11.53,-9.82,;10.2,-9.05,;10.2,-7.51,;11.53,-6.74,;11,-7.9,;12.13,-8.54,;13.03,-5.97,)|
Show InChI InChI=1S/C10H17NO2/c1-8-12-7-10(13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,10?/m1/s1
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PC sid
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Article
90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of muscarinic m1 receptor agonist 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)
BDBM50005848
PNG
((2'R)-2'-methylspiro[4-azabicyclo[2.2.2]octane-2,4...)
Show SMILES C[C@@H]1OCC2(CN3CCC2CC3)O1 |wD:1.0,(15.15,-4.25,;14.53,-5.65,;15.3,-6.97,;14.28,-8.13,;12.87,-7.51,;12.87,-9.05,;11.53,-9.82,;10.2,-9.05,;10.2,-7.51,;11.53,-6.74,;11,-7.9,;12.13,-8.54,;13.03,-5.97,)|
Show InChI InChI=1S/C10H17NO2/c1-8-12-7-10(13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,10?/m1/s1
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CHEMBL
PC cid
PC sid
UniChem

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Article
1.58E+3n/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


(Homo sapiens (Human))
BDBM50005848
PNG
((2'R)-2'-methylspiro[4-azabicyclo[2.2.2]octane-2,4...)
Show SMILES C[C@@H]1OCC2(CN3CCC2CC3)O1 |wD:1.0,(15.15,-4.25,;14.53,-5.65,;15.3,-6.97,;14.28,-8.13,;12.87,-7.51,;12.87,-9.05,;11.53,-9.82,;10.2,-9.05,;10.2,-7.51,;11.53,-6.74,;11,-7.9,;12.13,-8.54,;13.03,-5.97,)|
Show InChI InChI=1S/C10H17NO2/c1-8-12-7-10(13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,10?/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
6.30E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M1 in guinea pig cerebral cortex using (-)-[3H]-QNB as radi...


J Med Chem 35: 1541-50 (1992)


BindingDB Entry DOI: 10.7270/Q2R78D6J
More data for this
Ligand-Target Pair