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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 = 'BDBM50023243'   
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))
BDBM50023243
PNG
(CHEMBL3329736)
Show SMILES CCN([C@H](C)c1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C23H30N2O4S/c1-4-25(18(2)19-8-6-5-7-9-19)23(26)20-14-16-24(17-15-20)30(27,28)22-12-10-21(29-3)11-13-22/h5-13,18,20H,4,14-17H2,1-3H3/t18-/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 970n/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))
BDBM50023243
PNG
(CHEMBL3329736)
Show SMILES CCN([C@H](C)c1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C23H30N2O4S/c1-4-25(18(2)19-8-6-5-7-9-19)23(26)20-14-16-24(17-15-20)30(27,28)22-12-10-21(29-3)11-13-22/h5-13,18,20H,4,14-17H2,1-3H3/t18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 977n/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