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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1/M5 chimeric protein' and Ligand = 'BDBM50023269'   
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 M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50023269
PNG
(CHEMBL3329765)
Show SMILES FC(F)(F)c1ccccc1CN(CC1CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C25H27F3N4O3S/c26-25(27,28)22-4-2-1-3-19(22)16-31(15-17-5-6-17)24(33)18-9-11-32(12-10-18)36(34,35)21-7-8-23-20(13-21)14-29-30-23/h1-4,7-8,13-14,17-18H,5-6,9-12,15-16H2,(H,29,30)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 120n/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 M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50023269
PNG
(CHEMBL3329765)
Show SMILES FC(F)(F)c1ccccc1CN(CC1CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C25H27F3N4O3S/c26-25(27,28)22-4-2-1-3-19(22)16-31(15-17-5-6-17)24(33)18-9-11-32(12-10-18)36(34,35)21-7-8-23-20(13-21)14-29-30-23/h1-4,7-8,13-14,17-18H,5-6,9-12,15-16H2,(H,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 120n/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