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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 = 'BDBM50280552'   
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)
BDBM50280552
PNG
(2,8-Dimethyl-1,3-dithia-8-aza-spiro[4.5]decane | C...)
Show SMILES CC1SCC2(CCN(C)CC2)S1
Show InChI InChI=1S/C9H17NS2/c1-8-11-7-9(12-8)3-5-10(2)6-4-9/h8H,3-7H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
530n/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)
BDBM50280552
PNG
(2,8-Dimethyl-1,3-dithia-8-aza-spiro[4.5]decane | C...)
Show SMILES CC1SCC2(CCN(C)CC2)S1
Show InChI InChI=1S/C9H17NS2/c1-8-11-7-9(12-8)3-5-10(2)6-4-9/h8H,3-7H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
2.10E+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