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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM50413131'   
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


(Homo sapiens (Human))
BDBM50413131
PNG
(CHEMBL540400)
Show SMILES CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|
Show InChI InChI=1S/C32H35ClN4O6/c1-3-41-31(39)23-8-10-25(11-9-23)35-32(40)36-27(16-21-5-4-6-24(33)15-21)30(38)34-26-13-14-37(2,19-26)18-22-7-12-28-29(17-22)43-20-42-28/h4-12,15,17,26-27H,3,13-14,16,18-20H2,1-2H3,(H2-,34,35,36,38,39,40)/p+1/t26-,27-,37?/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3.98n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M2 receptor expressed in CHO cells coexpressing chimeric G protein Gqi5 assessed as inhibition of...


Bioorg Med Chem Lett 18: 5481-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.020
BindingDB Entry DOI: 10.7270/Q23B61CM
More data for this
Ligand-Target Pair