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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM50424117'   
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 M2


(RAT)
BDBM50424117
PNG
(CHEMBL2315680)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H27F3N4O3/c1-2-30-19(29)26-10-7-16(8-11-26)27-9-3-4-15(13-27)25-18(28)14-5-6-17(24-12-14)20(21,22)23/h5-6,12,15-16H,2-4,7-11,13H2,1H3,(H,25,28)/t15-/m1/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M2 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response


Bioorg Med Chem Lett 23: 223-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50424117
PNG
(CHEMBL2315680)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H27F3N4O3/c1-2-30-19(29)26-10-7-16(8-11-26)27-9-3-4-15(13-27)25-18(28)14-5-6-17(24-12-14)20(21,22)23/h5-6,12,15-16H,2-4,7-11,13H2,1H3,(H,25,28)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M2 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response


Bioorg Med Chem Lett 23: 223-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9
More data for this
Ligand-Target Pair