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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 = 'BDBM50023238'   
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))
BDBM50023238
PNG
(CHEMBL3329729)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2occc2c1
Show InChI InChI=1S/C23H26N2O4S/c1-2-24(17-18-6-4-3-5-7-18)23(26)19-10-13-25(14-11-19)30(27,28)21-8-9-22-20(16-21)12-15-29-22/h3-9,12,15-16,19H,2,10-11,13-14,17H2,1H3
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.40E+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))
BDBM50023238
PNG
(CHEMBL3329729)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2occc2c1
Show InChI InChI=1S/C23H26N2O4S/c1-2-24(17-18-6-4-3-5-7-18)23(26)19-10-13-25(14-11-19)30(27,28)21-8-9-22-20(16-21)12-15-29-22/h3-9,12,15-16,19H,2,10-11,13-14,17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.34E+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