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BDBM50003350 5-(4-Heptyl-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2,3,6-tetrahydro-pyridine::5-(4-Heptyl-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2,3,6-tetrahydro-pyridine; oxalic acid::CHEMBL120399::CHEMBL307837

SMILES: CCCCCCCc1nsnc1C1=CCCN(C)C1

InChI Key: InChIKey=KFMGSFKZOWXTCJ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50003350   
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)
BDBM50003350
PNG
(5-(4-Heptyl-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2,3...)
Show SMILES CCCCCCCc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C15H25N3S/c1-3-4-5-6-7-10-14-15(17-19-16-14)13-9-8-11-18(2)12-13/h9H,3-8,10-12H2,1-2H3
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UniProtKB/SwissProt

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Article
PubMed
n/an/a 73n/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)


Article DOI: 10.1021/jm00090a019
BindingDB Entry DOI: 10.7270/Q22J69TH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50003350
PNG
(5-(4-Heptyl-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2,3...)
Show SMILES CCCCCCCc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C15H25N3S/c1-3-4-5-6-7-10-14-15(17-19-16-14)13-9-8-11-18(2)12-13/h9H,3-8,10-12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 187n/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)


Article DOI: 10.1021/jm00090a019
BindingDB Entry DOI: 10.7270/Q22J69TH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50003350
PNG
(5-(4-Heptyl-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2,3...)
Show SMILES CCCCCCCc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C15H25N3S/c1-3-4-5-6-7-10-14-15(17-19-16-14)13-9-8-11-18(2)12-13/h9H,3-8,10-12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 187n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-oxotremorine-M (Oxo-M) from rat hippocampus muscarinic acetylcholine receptor M1


J Med Chem 35: 4011-9 (1992)


Article DOI: 10.1021/jm00100a005
BindingDB Entry DOI: 10.7270/Q2KW5F1K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50003350
PNG
(5-(4-Heptyl-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2,3...)
Show SMILES CCCCCCCc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C15H25N3S/c1-3-4-5-6-7-10-14-15(17-19-16-14)13-9-8-11-18(2)12-13/h9H,3-8,10-12H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 224n/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)


Article DOI: 10.1021/jm00100a005
BindingDB Entry DOI: 10.7270/Q2KW5F1K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50003350
PNG
(5-(4-Heptyl-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2,3...)
Show SMILES CCCCCCCc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C15H25N3S/c1-3-4-5-6-7-10-14-15(17-19-16-14)13-9-8-11-18(2)12-13/h9H,3-8,10-12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 73n/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)


Article DOI: 10.1021/jm00100a005
BindingDB Entry DOI: 10.7270/Q2KW5F1K
More data for this
Ligand-Target Pair