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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Monomerid = 50121489   
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))
BDBM50121489
PNG
((2-Amino-3-methyl-phenyl)-(4-{1-[4-(propane-2-sulf...)
Show SMILES CC(C)S(=O)c1ccc(cc1)C(C)=C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(C)c1N
Show InChI InChI=1/C29H39N3O2S/c1-20(2)35(34)26-10-8-23(9-11-26)22(4)24-12-16-31(17-13-24)25-14-18-32(19-15-25)29(33)27-7-5-6-21(3)28(27)30/h5-11,20,25H,12-19,30H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.890n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human Muscarinic acetylcholine receptor M2


J Med Chem 45: 5415-8 (2002)


Article DOI: 10.1021/jm0255163
BindingDB Entry DOI: 10.7270/Q2ST7P6N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50121489
PNG
((2-Amino-3-methyl-phenyl)-(4-{1-[4-(propane-2-sulf...)
Show SMILES CC(C)S(=O)c1ccc(cc1)C(C)=C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(C)c1N
Show InChI InChI=1/C29H39N3O2S/c1-20(2)35(34)26-10-8-23(9-11-26)22(4)24-12-16-31(17-13-24)25-14-18-32(19-15-25)29(33)27-7-5-6-21(3)28(27)30/h5-11,20,25H,12-19,30H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.890n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.


Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50121489
PNG
((2-Amino-3-methyl-phenyl)-(4-{1-[4-(propane-2-sulf...)
Show SMILES CC(C)S(=O)c1ccc(cc1)C(C)=C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(C)c1N
Show InChI InChI=1/C29H39N3O2S/c1-20(2)35(34)26-10-8-23(9-11-26)22(4)24-12-16-31(17-13-24)25-14-18-32(19-15-25)29(33)27-7-5-6-21(3)28(27)30/h5-11,20,25H,12-19,30H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human Muscarinic acetylcholine receptor M2


J Med Chem 45: 5415-8 (2002)


Article DOI: 10.1021/jm0255163
BindingDB Entry DOI: 10.7270/Q2ST7P6N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50121489
PNG
((2-Amino-3-methyl-phenyl)-(4-{1-[4-(propane-2-sulf...)
Show SMILES CC(C)S(=O)c1ccc(cc1)C(C)=C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(C)c1N
Show InChI InChI=1/C29H39N3O2S/c1-20(2)35(34)26-10-8-23(9-11-26)22(4)24-12-16-31(17-13-24)25-14-18-32(19-15-25)29(33)27-7-5-6-21(3)28(27)30/h5-11,20,25H,12-19,30H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human Muscarinic acetylcholine receptor M2


J Med Chem 45: 5415-8 (2002)


Article DOI: 10.1021/jm0255163
BindingDB Entry DOI: 10.7270/Q2ST7P6N
More data for this
Ligand-Target Pair