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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M4' and Ligand = 'BDBM48056'   
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


(RAT)
BDBM48056
PNG
(3-amino-N-(2,3-difluorobenzyl)-4,6-dimethyl-thieno...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cccc(F)c1F
Show InChI InChI=1S/C17H15F2N3OS/c1-8-6-9(2)22-17-12(8)14(20)15(24-17)16(23)21-7-10-4-3-5-11(18)13(10)19/h3-6H,7,20H2,1-2H3,(H,21,23)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 0.000973n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM48056
PNG
(3-amino-N-(2,3-difluorobenzyl)-4,6-dimethyl-thieno...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cccc(F)c1F
Show InChI InChI=1S/C17H15F2N3OS/c1-8-6-9(2)22-17-12(8)14(20)15(24-17)16(23)21-7-10-4-3-5-11(18)13(10)19/h3-6H,7,20H2,1-2H3,(H,21,23)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 110n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M4 receptor expressed in CHO Flp-In cells assessed as stimulation of acetylcholine-induced ERK1/2 ...


J Med Chem 56: 8196-200 (2013)


Article DOI: 10.1021/jm401032k
BindingDB Entry DOI: 10.7270/Q2HT2S8D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM48056
PNG
(3-amino-N-(2,3-difluorobenzyl)-4,6-dimethyl-thieno...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cccc(F)c1F
Show InChI InChI=1S/C17H15F2N3OS/c1-8-6-9(2)22-17-12(8)14(20)15(24-17)16(23)21-7-10-4-3-5-11(18)13(10)19/h3-6H,7,20H2,1-2H3,(H,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 105n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M4 receptor expressed in CHO Flp-In cells assessed as stimulation of acetylcholine-induced ERK1/2 ...


J Med Chem 56: 8196-200 (2013)


Article DOI: 10.1021/jm401032k
BindingDB Entry DOI: 10.7270/Q2HT2S8D
More data for this
Ligand-Target Pair