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BDBM50003366 1-Methyl-5-(4-pentyloxy-[1,2,5]thiadiazol-3-yl)-1,2,3,6-tetrahydro-pyridine::1-Methyl-5-(4-pentyloxy-[1,2,5]thiadiazol-3-yl)-1,2,3,6-tetrahydro-pyridine; oxalic acid::1-methyl-5-(4-(pentyloxy)-1,2,5-thiadiazol-3-yl)-1,2,3,6-tetrahydropyridine::CHEMBL327754::CHEMBL75552

SMILES: CCCCCOc1nsnc1C1=CCCN(C)C1

InChI Key: InChIKey=JJWIFEIHNQNTLK-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50003366   
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)
BDBM50003366
PNG
(1-Methyl-5-(4-pentyloxy-[1,2,5]thiadiazol-3-yl)-1,...)
Show SMILES CCCCCOc1nsnc1C1=CCCN(C)C1 |t:12|
Show InChI InChI=1S/C13H21N3OS/c1-3-4-5-9-17-13-12(14-18-15-13)11-7-6-8-16(2)10-11/h7H,3-6,8-10H2,1-2H3
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n/an/a 2n/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 receptor M1 and M2


(RAT)
BDBM50003366
PNG
(1-Methyl-5-(4-pentyloxy-[1,2,5]thiadiazol-3-yl)-1,...)
Show SMILES CCCCCOc1nsnc1C1=CCCN(C)C1 |t:12|
Show InChI InChI=1S/C13H21N3OS/c1-3-4-5-9-17-13-12(14-18-15-13)11-7-6-8-16(2)10-11/h7H,3-6,8-10H2,1-2H3
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n/an/a 4n/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


(Homo sapiens (Human))
BDBM50003366
PNG
(1-Methyl-5-(4-pentyloxy-[1,2,5]thiadiazol-3-yl)-1,...)
Show SMILES CCCCCOc1nsnc1C1=CCCN(C)C1 |t:12|
Show InChI InChI=1S/C13H21N3OS/c1-3-4-5-9-17-13-12(14-18-15-13)11-7-6-8-16(2)10-11/h7H,3-6,8-10H2,1-2H3
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n/an/a 0.00400n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Efficacy at muscarinic acetylcholine receptor M1 measured by the ability to inhibit the electrically stimulated twitch of the rabbit vas deferens


J Med Chem 35: 4011-9 (1992)


BindingDB Entry DOI: 10.7270/Q2KW5F1K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50003366
PNG
(1-Methyl-5-(4-pentyloxy-[1,2,5]thiadiazol-3-yl)-1,...)
Show SMILES CCCCCOc1nsnc1C1=CCCN(C)C1 |t:12|
Show InChI InChI=1S/C13H21N3OS/c1-3-4-5-9-17-13-12(14-18-15-13)11-7-6-8-16(2)10-11/h7H,3-6,8-10H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL




Bioorg Med Chem Lett 8: 2897-902 (1999)


BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50003366
PNG
(1-Methyl-5-(4-pentyloxy-[1,2,5]thiadiazol-3-yl)-1,...)
Show SMILES CCCCCOc1nsnc1C1=CCCN(C)C1 |t:12|
Show InChI InChI=1S/C13H21N3OS/c1-3-4-5-9-17-13-12(14-18-15-13)11-7-6-8-16(2)10-11/h7H,3-6,8-10H2,1-2H3
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Article
PubMed
n/an/a 8.51E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells by wash-resistant binding method


Bioorg Med Chem 16: 1376-92 (2008)


Article DOI: 10.1016/j.bmc.2007.10.058
BindingDB Entry DOI: 10.7270/Q2CR5VNC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50003366
PNG
(1-Methyl-5-(4-pentyloxy-[1,2,5]thiadiazol-3-yl)-1,...)
Show SMILES CCCCCOc1nsnc1C1=CCCN(C)C1 |t:12|
Show InChI InChI=1S/C13H21N3OS/c1-3-4-5-9-17-13-12(14-18-15-13)11-7-6-8-16(2)10-11/h7H,3-6,8-10H2,1-2H3
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Article
PubMed
n/an/a 33n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells in continuous presence of radioligand


Bioorg Med Chem 16: 1376-92 (2008)


Article DOI: 10.1016/j.bmc.2007.10.058
BindingDB Entry DOI: 10.7270/Q2CR5VNC
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM50003366
PNG
(1-Methyl-5-(4-pentyloxy-[1,2,5]thiadiazol-3-yl)-1,...)
Show SMILES CCCCCOc1nsnc1C1=CCCN(C)C1 |t:12|
Show InChI InChI=1S/C13H21N3OS/c1-3-4-5-9-17-13-12(14-18-15-13)11-7-6-8-16(2)10-11/h7H,3-6,8-10H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine (Pz) from rat hippocampus muscarinic acetylcholine receptor M1


J Med Chem 35: 4011-9 (1992)


BindingDB Entry DOI: 10.7270/Q2KW5F1K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50003366
PNG
(1-Methyl-5-(4-pentyloxy-[1,2,5]thiadiazol-3-yl)-1,...)
Show SMILES CCCCCOc1nsnc1C1=CCCN(C)C1 |t:12|
Show InChI InChI=1S/C13H21N3OS/c1-3-4-5-9-17-13-12(14-18-15-13)11-7-6-8-16(2)10-11/h7H,3-6,8-10H2,1-2H3
Reactome pathway
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n/an/a 2n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine (Pz) from rat hippocampus muscarinic acetylcholine receptor M1


J Med Chem 35: 4011-9 (1992)


BindingDB Entry DOI: 10.7270/Q2KW5F1K
More data for this
Ligand-Target Pair