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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 = 'BDBM50023252'   
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))
BDBM50023252
PNG
(CHEMBL3329745)
Show SMILES CCN(Cc1cccc(Cl)c1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C22H25ClN4O3S/c1-2-26(15-16-4-3-5-19(23)12-16)22(28)17-8-10-27(11-9-17)31(29,30)20-7-6-18-14-24-25-21(18)13-20/h3-7,12-14,17H,2,8-11,15H2,1H3,(H,24,25)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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))
BDBM50023252
PNG
(CHEMBL3329745)
Show SMILES CCN(Cc1cccc(Cl)c1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C22H25ClN4O3S/c1-2-26(15-16-4-3-5-19(23)12-16)22(28)17-8-10-27(11-9-17)31(29,30)20-7-6-18-14-24-25-21(18)13-20/h3-7,12-14,17H,2,8-11,15H2,1H3,(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.62E+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