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BDBM50006580 1-Methyl-5-(4-methylsulfanyl-[1,2,5]thiadiazol-3-yl)-1,2,3,6-tetrahydro-pyridine; oxalic acid::CHEMBL15944::CHEMBL308608

SMILES: CSc1nsnc1C1=CCCN(C)C1

InChI Key: InChIKey=SGQUZSYRIZOLFQ-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50006580   
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)
BDBM50006580
PNG
(1-Methyl-5-(4-methylsulfanyl-[1,2,5]thiadiazol-3-y...)
Show SMILES CSc1nsnc1C1=CCCN(C)C1 |t:8|
Show InChI InChI=1S/C9H13N3S2/c1-12-5-3-4-7(6-12)8-9(13-2)11-14-10-8/h4H,3,5-6H2,1-2H3
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n/an/a 2.30n/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]-oxotremorine-M (Oxo-M) 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)
BDBM50006580
PNG
(1-Methyl-5-(4-methylsulfanyl-[1,2,5]thiadiazol-3-y...)
Show SMILES CSc1nsnc1C1=CCCN(C)C1 |t:8|
Show InChI InChI=1S/C9H13N3S2/c1-12-5-3-4-7(6-12)8-9(13-2)11-14-10-8/h4H,3,5-6H2,1-2H3
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n/an/a 43n/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))
BDBM50006580
PNG
(1-Methyl-5-(4-methylsulfanyl-[1,2,5]thiadiazol-3-y...)
Show SMILES CSc1nsnc1C1=CCCN(C)C1 |t:8|
Show InChI InChI=1S/C9H13N3S2/c1-12-5-3-4-7(6-12)8-9(13-2)11-14-10-8/h4H,3,5-6H2,1-2H3
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Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-N-methylscopolamine ([3H]-NMS) binding to cloned CHO cell lines expressing Muscarinic acetylc...


J Med Chem 41: 109-16 (1998)


Article DOI: 10.1021/jm9705216
BindingDB Entry DOI: 10.7270/Q2BV7FQS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50006580
PNG
(1-Methyl-5-(4-methylsulfanyl-[1,2,5]thiadiazol-3-y...)
Show SMILES CSc1nsnc1C1=CCCN(C)C1 |t:8|
Show InChI InChI=1S/C9H13N3S2/c1-12-5-3-4-7(6-12)8-9(13-2)11-14-10-8/h4H,3,5-6H2,1-2H3
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PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-N-methylscopolamine ([3H]-NMS) binding to cloned CHO cell lines expressing Muscarinic acetylc...


J Med Chem 41: 109-16 (1998)


Article DOI: 10.1021/jm9705216
BindingDB Entry DOI: 10.7270/Q2BV7FQS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50006580
PNG
(1-Methyl-5-(4-methylsulfanyl-[1,2,5]thiadiazol-3-y...)
Show SMILES CSc1nsnc1C1=CCCN(C)C1 |t:8|
Show InChI InChI=1S/C9H13N3S2/c1-12-5-3-4-7(6-12)8-9(13-2)11-14-10-8/h4H,3,5-6H2,1-2H3
PDB

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PC sid
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Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]- N-methylscopolamine ([3H]-NMS) binding to cloned CHO cell lines expressing Muscarinic acetyl...


J Med Chem 41: 109-16 (1998)


Article DOI: 10.1021/jm9705216
BindingDB Entry DOI: 10.7270/Q2BV7FQS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50006580
PNG
(1-Methyl-5-(4-methylsulfanyl-[1,2,5]thiadiazol-3-y...)
Show SMILES CSc1nsnc1C1=CCCN(C)C1 |t:8|
Show InChI InChI=1S/C9H13N3S2/c1-12-5-3-4-7(6-12)8-9(13-2)11-14-10-8/h4H,3,5-6H2,1-2H3
Reactome pathway
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Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]- N-methylscopolamine ([3H]-NMS) binding to cloned CHO cell lines expressing Muscarinic acetyl...


J Med Chem 41: 109-16 (1998)


Article DOI: 10.1021/jm9705216
BindingDB Entry DOI: 10.7270/Q2BV7FQS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50006580
PNG
(1-Methyl-5-(4-methylsulfanyl-[1,2,5]thiadiazol-3-y...)
Show SMILES CSc1nsnc1C1=CCCN(C)C1 |t:8|
Show InChI InChI=1S/C9H13N3S2/c1-12-5-3-4-7(6-12)8-9(13-2)11-14-10-8/h4H,3,5-6H2,1-2H3
Reactome pathway
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PC cid
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UniChem

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Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]- N-methylscopolamine ([3H]-NMS) binding to cloned CHO cell lines expressing Muscarinic acetyl...


J Med Chem 41: 109-16 (1998)


Article DOI: 10.1021/jm9705216
BindingDB Entry DOI: 10.7270/Q2BV7FQS
More data for this
Ligand-Target Pair