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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 = 'BDBM50023255'   
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))
BDBM50023255
PNG
(CHEMBL3329748)
Show SMILES CCN(Cc1ccccc1C)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C23H28N4O3S/c1-3-26(16-20-7-5-4-6-17(20)2)23(28)18-10-12-27(13-11-18)31(29,30)21-9-8-19-15-24-25-22(19)14-21/h4-9,14-15,18H,3,10-13,16H2,1-2H3,(H,24,25)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 870n/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))
BDBM50023255
PNG
(CHEMBL3329748)
Show SMILES CCN(Cc1ccccc1C)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C23H28N4O3S/c1-3-26(16-20-7-5-4-6-17(20)2)23(28)18-10-12-27(13-11-18)31(29,30)21-9-8-19-15-24-25-22(19)14-21/h4-9,14-15,18H,3,10-13,16H2,1-2H3,(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 871n/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