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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M5' and Ligand = 'BDBM50023234'   
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 M5


(Homo sapiens (Human))
BDBM50023234
PNG
(CHEMBL3329719)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C23H30N2O5S/c1-4-24(17-18-8-6-5-7-9-18)23(26)19-12-14-25(15-13-19)31(27,28)20-10-11-21(29-2)22(16-20)30-3/h5-11,16,19H,4,12-15,17H2,1-3H3
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PC sid
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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023234
PNG
(CHEMBL3329719)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C23H30N2O5S/c1-4-24(17-18-8-6-5-7-9-18)23(26)19-12-14-25(15-13-19)31(27,28)20-10-11-21(29-2)22(16-20)30-3/h5-11,16,19H,4,12-15,17H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a<1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair