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SMILES: [Br-].OC(C(=O)O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=PVJQAZLKFFFUBU-GSEXTUOBSA-M

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50522832   
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 M3


(Homo sapiens (Human))
BDBM50522832
PNG
(CHEMBL4483083)
Show SMILES [Br-].OC(C(=O)O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |r,wU:6.4,(82.97,-35.31,;73.57,-37.16,;74.91,-37.93,;76.24,-38.7,;76.25,-40.24,;77.57,-37.92,;78.91,-38.69,;80.24,-37.91,;81.56,-38.69,;82.9,-37.92,;84.23,-38.69,;85.56,-37.93,;86.9,-38.7,;86.89,-40.24,;88.22,-41.01,;89.56,-40.24,;89.56,-38.7,;88.22,-37.93,;81.57,-40.23,;80.24,-40.99,;78.91,-40.23,;80.4,-40.03,;80.05,-38.98,;74.9,-36.39,;76.23,-35.62,;76.23,-34.08,;74.89,-33.31,;73.56,-34.1,;73.57,-35.63,;73.57,-38.7,;72.24,-37.93,;70.91,-38.7,;70.91,-40.25,;72.26,-41.01,;73.58,-40.24,)|
Show InChI InChI=1S/C30H34NO3.BrH/c32-29(30(33,26-14-6-2-7-15-26)27-16-8-3-9-17-27)34-28-23-31(21-18-25(28)19-22-31)20-10-13-24-11-4-1-5-12-24;/h1-9,11-12,14-17,25,28,33H,10,13,18-23H2;1H/q+1;/p-1/t25?,28-,31?;/m0./s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M3R expressed in CHOK1 cell membranes incubated for 2 hrs by microbeta scintillation counting method


Bioorg Med Chem 27: 3339-3346 (2019)


Article DOI: 10.1016/j.bmc.2019.06.016
BindingDB Entry DOI: 10.7270/Q2DR2ZXC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50522832
PNG
(CHEMBL4483083)
Show SMILES [Br-].OC(C(=O)O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |r,wU:6.4,(82.97,-35.31,;73.57,-37.16,;74.91,-37.93,;76.24,-38.7,;76.25,-40.24,;77.57,-37.92,;78.91,-38.69,;80.24,-37.91,;81.56,-38.69,;82.9,-37.92,;84.23,-38.69,;85.56,-37.93,;86.9,-38.7,;86.89,-40.24,;88.22,-41.01,;89.56,-40.24,;89.56,-38.7,;88.22,-37.93,;81.57,-40.23,;80.24,-40.99,;78.91,-40.23,;80.4,-40.03,;80.05,-38.98,;74.9,-36.39,;76.23,-35.62,;76.23,-34.08,;74.89,-33.31,;73.56,-34.1,;73.57,-35.63,;73.57,-38.7,;72.24,-37.93,;70.91,-38.7,;70.91,-40.25,;72.26,-41.01,;73.58,-40.24,)|
Show InChI InChI=1S/C30H34NO3.BrH/c32-29(30(33,26-14-6-2-7-15-26)27-16-8-3-9-17-27)34-28-23-31(21-18-25(28)19-22-31)20-10-13-24-11-4-1-5-12-24;/h1-9,11-12,14-17,25,28,33H,10,13,18-23H2;1H/q+1;/p-1/t25?,28-,31?;/m0./s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M2R expressed in CHOK1 cell membranes incubated for 2 hrs by microbeta scintillation counting method


Bioorg Med Chem 27: 3339-3346 (2019)


Article DOI: 10.1016/j.bmc.2019.06.016
BindingDB Entry DOI: 10.7270/Q2DR2ZXC
More data for this
Ligand-Target Pair