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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 M5' and Ligand = 'BDBM50265999'   
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 M2 and M5


(Homo sapiens (Human))
BDBM50265999
PNG
(CHEMBL4089376)
Show SMILES CN1CCN(CC1)C(=O)COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl
Show InChI InChI=1S/C19H24ClN5O3S/c1-10-13-15(21)16(17(27)22-11-3-4-11)29-19(13)23-18(14(10)20)28-9-12(26)25-7-5-24(2)6-8-25/h11H,3-9,21H2,1-2H3,(H,22,27)
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PC sid
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Article
PubMed
5.50E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UNSW-MK259 from human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells after 3 hrs by liquid scintillation counting ...


J Med Chem 60: 3314-3334 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01892
BindingDB Entry DOI: 10.7270/Q29S1THC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Muscarinic acetylcholine receptor M2 and M5


(Homo sapiens (Human))
BDBM50265999
PNG
(CHEMBL4089376)
Show SMILES CN1CCN(CC1)C(=O)COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl
Show InChI InChI=1S/C19H24ClN5O3S/c1-10-13-15(21)16(17(27)22-11-3-4-11)29-19(13)23-18(14(10)20)28-9-12(26)25-7-5-24(2)6-8-25/h11H,3-9,21H2,1-2H3,(H,22,27)
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Article
PubMed
n/an/a<3.16E+4n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells after 3 hrs by liquid scintillation counting assay


J Med Chem 60: 3314-3334 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01892
BindingDB Entry DOI: 10.7270/Q29S1THC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)