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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 = 'BDBM50023239'   
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))
BDBM50023239
PNG
(CHEMBL3329730)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C22H26N4O3S/c1-2-25(16-17-6-4-3-5-7-17)22(27)18-10-12-26(13-11-18)30(28,29)20-8-9-21-19(14-20)15-23-24-21/h3-9,14-15,18H,2,10-13,16H2,1H3,(H,23,24)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 1.60E+3n/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))
BDBM50023239
PNG
(CHEMBL3329730)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C22H26N4O3S/c1-2-25(16-17-6-4-3-5-7-17)22(27)18-10-12-26(13-11-18)30(28,29)20-8-9-21-19(14-20)15-23-24-21/h3-9,14-15,18H,2,10-13,16H2,1H3,(H,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.55E+3n/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