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SMILES: CSCCc1nsnc1OC1CN2CCC1CC2

InChI Key: InChIKey=IJUQQMJVLSOUQN-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50062573   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50062573
PNG
(3-[4-(2-Methylsulfanyl-ethyl)-[1,2,5]thiadiazol-3-...)
Show SMILES CSCCc1nsnc1OC1CN2CCC1CC2 |(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/C12H19N3OS2/c1-17-7-4-10-12(14-18-13-10)16-11-8-15-5-2-9(11)3-6-15/h9,11H,2-8H2,1H3
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 58.7n/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)
BDBM50062573
PNG
(3-[4-(2-Methylsulfanyl-ethyl)-[1,2,5]thiadiazol-3-...)
Show SMILES CSCCc1nsnc1OC1CN2CCC1CC2 |(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/C12H19N3OS2/c1-17-7-4-10-12(14-18-13-10)16-11-8-15-5-2-9(11)3-6-15/h9,11H,2-8H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 66n/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