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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 = 'BDBM50023235'   
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))
BDBM50023235
PNG
(CHEMBL3329720)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1cccc2OCCOc12
Show InChI InChI=1S/C23H28N2O5S/c1-2-24(17-18-7-4-3-5-8-18)23(26)19-11-13-25(14-12-19)31(27,28)21-10-6-9-20-22(21)30-16-15-29-20/h3-10,19H,2,11-17H2,1H3
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/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))
BDBM50023235
PNG
(CHEMBL3329720)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1cccc2OCCOc12
Show InChI InChI=1S/C23H28N2O5S/c1-2-24(17-18-7-4-3-5-8-18)23(26)19-11-13-25(14-12-19)31(27,28)21-10-6-9-20-22(21)30-16-15-29-20/h3-10,19H,2,11-17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a<1.00E+4n/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