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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 361.5
BDBM50149723

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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))
BDBM50149723
PNG
((1S,4aR,5S,9aS)-4-[2-((2R,6S)-1,6-Dimethyl-piperid...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@H]([C@@H]12)C(=O)C[C@H]1CCC[C@H](C)N1C
Show InChI InChI=1S/C22H35NO3/c1-13-7-6-9-16(23(13)3)12-19(24)21-17-10-5-4-8-15(17)11-18-20(21)14(2)26-22(18)25/h13-18,20-21H,4-12H2,1-3H3/t13-,14-,15+,16+,17-,18-,20-,21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
203n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M2 muscarinic receptor


Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50149723
PNG
((1S,4aR,5S,9aS)-4-[2-((2R,6S)-1,6-Dimethyl-piperid...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@H]([C@@H]12)C(=O)C[C@H]1CCC[C@H](C)N1C
Show InChI InChI=1S/C22H35NO3/c1-13-7-6-9-16(23(13)3)12-19(24)21-17-10-5-4-8-15(17)11-18-20(21)14(2)26-22(18)25/h13-18,20-21H,4-12H2,1-3H3/t13-,14-,15+,16+,17-,18-,20-,21-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.57E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cloned human M1 muscarinic receptor


Bioorg Med Chem Lett 14: 3967-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.047
BindingDB Entry DOI: 10.7270/Q269730G
More data for this
Ligand-Target Pair