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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1' and Ligand = 'BDBM50107702'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50107702
PNG
(1,10-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl...)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCCCCCCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:32|
Show InChI InChI=1S/C26H40N6S4/c1-31-15-11-13-21(19-31)23-25(29-35-27-23)33-17-9-7-5-3-4-6-8-10-18-34-26-24(28-36-30-26)22-14-12-16-32(2)20-22/h13-14H,3-12,15-20H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.320n/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))
BDBM50107702
PNG
(1,10-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl...)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCCCCCCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:32|
Show InChI InChI=1S/C26H40N6S4/c1-31-15-11-13-21(19-31)23-25(29-35-27-23)33-17-9-7-5-3-4-6-8-10-18-34-26-24(28-36-30-26)22-14-12-16-32(2)20-22/h13-14H,3-12,15-20H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 2.10E+3n/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