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SMILES: C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3\C(=C\CC3CCC(C)(C)N3C)[C@@H]12

InChI Key: InChIKey=BFWLLXLCNDBKTL-BXJHODBTSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50149725   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50149725
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[(S)-1-Hydroxy-2-(1,5,5-...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3\C(=C\CC3CCC(C)(C)N3C)[C@@H]12 |t:6|
Show InChI InChI=1S/C22H33NO2/c1-14-20-18(10-9-16-11-12-22(2,3)23(16)4)17-8-6-5-7-15(17)13-19(20)21(24)25-14/h10,13-14,16-17,19-20H,5-9,11-12H2,1-4H3/b18-10-/t14-,16?,17-,19-,20+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
68n/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))
BDBM50149725
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[(S)-1-Hydroxy-2-(1,5,5-...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3\C(=C\CC3CCC(C)(C)N3C)[C@@H]12 |t:6|
Show InChI InChI=1S/C22H33NO2/c1-14-20-18(10-9-16-11-12-22(2,3)23(16)4)17-8-6-5-7-15(17)13-19(20)21(24)25-14/h10,13-14,16-17,19-20H,5-9,11-12H2,1-4H3/b18-10-/t14-,16?,17-,19-,20+/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
177n/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