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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1' and Ligand = 'BDBM50305819'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50305819
PNG
(1-(4-(thiophen-3-yl)benzyl)-5-(trifluoromethoxy)in...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccsc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C20H12F3NO3S/c21-20(22,23)27-15-5-6-17-16(9-15)18(25)19(26)24(17)10-12-1-3-13(4-2-12)14-7-8-28-11-14/h1-9,11H,10H2
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KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 expressed in CHO cells assessed as stimulation of calcium mobilization


Bioorg Med Chem Lett 20: 558-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.089
BindingDB Entry DOI: 10.7270/Q2PK0G7M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50305819
PNG
(1-(4-(thiophen-3-yl)benzyl)-5-(trifluoromethoxy)in...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccsc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C20H12F3NO3S/c21-20(22,23)27-15-5-6-17-16(9-15)18(25)19(26)24(17)10-12-1-3-13(4-2-12)14-7-8-28-11-14/h1-9,11H,10H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.19E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K64GH0
More data for this
Ligand-Target Pair