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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 = 'BDBM50062589'   
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)
BDBM50062589
PNG
(3-(4-Butylsulfanyl-[1,2,5]thiadiazol-3-yloxy)-1-az...)
Show SMILES CCCCSc1nsnc1OC1CN2CCC1CC2 |(8.64,-14.44,;9.78,-13.42,;9.48,-11.91,;10.62,-10.88,;10.31,-9.38,;11.46,-8.36,;12.97,-8.68,;13.74,-7.33,;12.7,-6.19,;11.32,-6.82,;9.99,-6.05,;8.64,-6.82,;8.64,-8.36,;7.31,-9.12,;6,-8.36,;6,-6.82,;7.31,-6.04,;6.56,-7.38,;8.08,-7.78,)|
Show InChI InChI=1S/C13H21N3OS2/c1-2-3-8-18-13-12(14-19-15-13)17-11-9-16-6-4-10(11)5-7-16/h10-11H,2-9H2,1H3
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PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 using [3H]-oxotremorine-M (Oxo-M) radioligand in rat hippocampus membranes


J Med Chem 41: 379-92 (1998)


Article DOI: 10.1021/jm970125n
BindingDB Entry DOI: 10.7270/Q2SX6CBC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50062589
PNG
(3-(4-Butylsulfanyl-[1,2,5]thiadiazol-3-yloxy)-1-az...)
Show SMILES CCCCSc1nsnc1OC1CN2CCC1CC2 |(8.64,-14.44,;9.78,-13.42,;9.48,-11.91,;10.62,-10.88,;10.31,-9.38,;11.46,-8.36,;12.97,-8.68,;13.74,-7.33,;12.7,-6.19,;11.32,-6.82,;9.99,-6.05,;8.64,-6.82,;8.64,-8.36,;7.31,-9.12,;6,-8.36,;6,-6.82,;7.31,-6.04,;6.56,-7.38,;8.08,-7.78,)|
Show InChI InChI=1S/C13H21N3OS2/c1-2-3-8-18-13-12(14-19-15-13)17-11-9-16-6-4-10(11)5-7-16/h10-11H,2-9H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 using [3H]-Pirenzepine (Pz) radioligand in rat hippocampus membranes.


J Med Chem 41: 379-92 (1998)


Article DOI: 10.1021/jm970125n
BindingDB Entry DOI: 10.7270/Q2SX6CBC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50062589
PNG
(3-(4-Butylsulfanyl-[1,2,5]thiadiazol-3-yloxy)-1-az...)
Show SMILES CCCCSc1nsnc1OC1CN2CCC1CC2 |(8.64,-14.44,;9.78,-13.42,;9.48,-11.91,;10.62,-10.88,;10.31,-9.38,;11.46,-8.36,;12.97,-8.68,;13.74,-7.33,;12.7,-6.19,;11.32,-6.82,;9.99,-6.05,;8.64,-6.82,;8.64,-8.36,;7.31,-9.12,;6,-8.36,;6,-6.82,;7.31,-6.04,;6.56,-7.38,;8.08,-7.78,)|
Show InChI InChI=1S/C13H21N3OS2/c1-2-3-8-18-13-12(14-19-15-13)17-11-9-16-6-4-10(11)5-7-16/h10-11H,2-9H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 22.3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration required for stimulation of phosphoinositol (PI) hydrolysis in the A9 L cell line transfected with the Muscarinic acetylcholi...


J Med Chem 41: 379-92 (1998)


Article DOI: 10.1021/jm970125n
BindingDB Entry DOI: 10.7270/Q2SX6CBC
More data for this
Ligand-Target Pair