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BDBM50006587 1-Methyl-5-[4-(2-methyl-pentyloxy)-[1,2,5]thiadiazol-3-yl]-1,2,3,6-tetrahydro-pyridine; compound with but-2-enedioic acid::CHEMBL72430

SMILES: CCCC(C)COc1nsnc1C1=CCCN(C)C1

InChI Key: InChIKey=XIZUAQUUBUEEKW-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50006587   
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)
BDBM50006587
PNG
(1-Methyl-5-[4-(2-methyl-pentyloxy)-[1,2,5]thiadiaz...)
Show SMILES CCCC(C)COc1nsnc1C1=CCCN(C)C1 |t:13|
Show InChI InChI=1S/C14H23N3OS/c1-4-6-11(2)10-18-14-13(15-19-16-14)12-7-5-8-17(3)9-12/h7,11H,4-6,8-10H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9n/an/an/an/an/an/a



Novo Nordisk CNS Division

Curated by ChEMBL


Assay Description
In vitro binding affinity against muscarinic acetylcholine receptor M1 from rat hippocampus, using [3H]-pirenzepine (Pz) as radioligand


J Med Chem 35: 2274-83 (1992)


BindingDB Entry DOI: 10.7270/Q22J69TH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50006587
PNG
(1-Methyl-5-[4-(2-methyl-pentyloxy)-[1,2,5]thiadiaz...)
Show SMILES CCCC(C)COc1nsnc1C1=CCCN(C)C1 |t:13|
Show InChI InChI=1S/C14H23N3OS/c1-4-6-11(2)10-18-14-13(15-19-16-14)12-7-5-8-17(3)9-12/h7,11H,4-6,8-10H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 13n/an/an/an/an/an/a



Novo Nordisk CNS Division

Curated by ChEMBL


Assay Description
In vitro binding affinity against muscarinic acetylcholine receptor M1 from rat hippocampus, using [3H]-pirenzepine (Pz) as radioligand


J Med Chem 35: 2274-83 (1992)


BindingDB Entry DOI: 10.7270/Q22J69TH
More data for this
Ligand-Target Pair