new BindingDB logo
myBDB logout

BDBM50107717 1,3-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)-1,2,5-thiadiazol-3-ylsulfanyl]propane::CHEMBL337131

SMILES: CN1CCC=C(C1)c1nsnc1SCCCSc1nsnc1C1=CCCN(C)C1

InChI Key: InChIKey=TWGGDUAUQDVEQJ-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 = 50107717   
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


(Homo sapiens (Human))
BDBM50107717
PNG
(1,3-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)...)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:25|
Show InChI InChI=1S/C19H26N6S4/c1-24-8-3-6-14(12-24)16-18(22-28-20-16)26-10-5-11-27-19-17(21-29-23-19)15-7-4-9-25(2)13-15/h6-7H,3-5,8-13H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.20n/an/an/an/an/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Binding affinity towards M1 muscarinic receptor expressed in A9 L cells by diaplacing [3H]-(R)-QNB radioligand.


J Med Chem 44: 4563-76 (2001)


BindingDB Entry DOI: 10.7270/Q2765DN7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50107717
PNG
(1,3-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)...)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:25|
Show InChI InChI=1S/C19H26N6S4/c1-24-8-3-6-14(12-24)16-18(22-28-20-16)26-10-5-11-27-19-17(21-29-23-19)15-7-4-9-25(2)13-15/h6-7H,3-5,8-13H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/an/an/a 350n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Agonistic activity against M1 muscarinic receptor expressed in A9 L cells.


J Med Chem 44: 4563-76 (2001)


BindingDB Entry DOI: 10.7270/Q2765DN7
More data for this
Ligand-Target Pair