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BDBM50003363 1-Methyl-5-(4-pentylsulfanyl-[1,2,5]thiadiazol-3-yl)-1,2,3,6-tetrahydro-pyridine::1-Methyl-5-(4-pentylsulfanyl-[1,2,5]thiadiazol-3-yl)-1,2,3,6-tetrahydro-pyridine; oxalic acid::CHEMBL130715::CHEMBL308381

SMILES: CCCCCSc1nsnc1C1=CCCN(C)C1

InChI Key: InChIKey=LRTWCQHCJKYNPS-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 = 50003363   
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)
BDBM50003363
PNG
(1-Methyl-5-(4-pentylsulfanyl-[1,2,5]thiadiazol-3-y...)
Show SMILES CCCCCSc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C13H21N3S2/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 2.40n/an/an/an/an/an/a



Novo Nordisk CNS Division

Curated by ChEMBL


Assay Description
In vitro binding affinity against M1 receptor 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 receptor M1 and M2


(RAT)
BDBM50003363
PNG
(1-Methyl-5-(4-pentylsulfanyl-[1,2,5]thiadiazol-3-y...)
Show SMILES CCCCCSc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C13H21N3S2/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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UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 4.80n/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 receptor M1 and M2


(RAT)
BDBM50003363
PNG
(1-Methyl-5-(4-pentylsulfanyl-[1,2,5]thiadiazol-3-y...)
Show SMILES CCCCCSc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C13H21N3S2/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
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.40n/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))
BDBM50003363
PNG
(1-Methyl-5-(4-pentylsulfanyl-[1,2,5]thiadiazol-3-y...)
Show SMILES CCCCCSc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C13H21N3S2/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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.00200n/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)
BDBM50003363
PNG
(1-Methyl-5-(4-pentylsulfanyl-[1,2,5]thiadiazol-3-y...)
Show SMILES CCCCCSc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C13H21N3S2/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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.80n/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