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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M4' and Ligand = 'BDBM50240541'   
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 M4


(Homo sapiens (Human))
BDBM50240541
PNG
(CHEMBL4074229)
Show SMILES COc1ccc2CN(CCc2c1)C(=O)C1CCN(CC1)c1cc(Oc2ccc(F)cc2F)ncn1
Show InChI InChI=1S/C26H26F2N4O3/c1-34-21-4-2-19-15-32(11-8-18(19)12-21)26(33)17-6-9-31(10-7-17)24-14-25(30-16-29-24)35-23-5-3-20(27)13-22(23)28/h2-5,12-14,16-17H,6-11,15H2,1H3
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PC cid
PC sid
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Article
PubMed
n/an/a 562n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 27: 2479-2483 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50240541
PNG
(CHEMBL4074229)
Show SMILES COc1ccc2CN(CCc2c1)C(=O)C1CCN(CC1)c1cc(Oc2ccc(F)cc2F)ncn1
Show InChI InChI=1S/C26H26F2N4O3/c1-34-21-4-2-19-15-32(11-8-18(19)12-21)26(33)17-6-9-31(10-7-17)24-14-25(30-16-29-24)35-23-5-3-20(27)13-22(23)28/h2-5,12-14,16-17H,6-11,15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 580n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Competitive inhibition against [3H]cocaine binding to cocaine receptor in bovine striatal tissue


Bioorg Med Chem Lett 27: 2479-2483 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H
More data for this
Ligand-Target Pair