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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50297135'   
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 M3


(Homo sapiens (Human))
BDBM50297135
PNG
(CHEMBL563305 | endo-N-benzyl-3-(8-methyl-8-azabicy...)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(C(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.32.6:3.4,THB:8:7:1:3.4|
Show InChI InChI=1S/C30H34N2O/c1-32-27-17-18-28(32)20-24(19-27)21-30(25-13-7-3-8-14-25,26-15-9-4-10-16-26)29(33)31-22-23-11-5-2-6-12-23/h2-16,24,27-28H,17-22H2,1H3,(H,31,33)/t27-,28-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 839n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50297135
PNG
(CHEMBL563305 | endo-N-benzyl-3-(8-methyl-8-azabicy...)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(C(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.32.6:3.4,THB:8:7:1:3.4|
Show InChI InChI=1S/C30H34N2O/c1-32-27-17-18-28(32)20-24(19-27)21-30(25-13-7-3-8-14-25,26-15-9-4-10-16-26)29(33)31-22-23-11-5-2-6-12-23/h2-16,24,27-28H,17-22H2,1H3,(H,31,33)/t27-,28-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 839n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 4560-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.006
BindingDB Entry DOI: 10.7270/Q2DB81WW
More data for this
Ligand-Target Pair