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SMILES: CC(C)N(CCOC(=O)C(O)(c1ccccc1)c1ccccc1)C(C)C

InChI Key: InChIKey=NHFIEMNGVIAFJO-UHFFFAOYSA-N

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 3 hits for monomerid = 50491132   
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))
BDBM50491132
PNG
(CHEMBL2377261)
Show SMILES CC(C)N(CCOC(=O)C(O)(c1ccccc1)c1ccccc1)C(C)C
Show InChI InChI=1S/C22H29NO3/c1-17(2)23(18(3)4)15-16-26-21(24)22(25,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,25H,15-16H2,1-4H3
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Article
PubMed
5.90n/an/an/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Displacement of [3H] N-methylscopolamine from human muscarinic M3 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis


Bioorg Med Chem 21: 2651-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.072
BindingDB Entry DOI: 10.7270/Q2X92F6X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50491132
PNG
(CHEMBL2377261)
Show SMILES CC(C)N(CCOC(=O)C(O)(c1ccccc1)c1ccccc1)C(C)C
Show InChI InChI=1S/C22H29NO3/c1-17(2)23(18(3)4)15-16-26-21(24)22(25,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,25H,15-16H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
5.90n/an/an/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Displacement of [3H] N-methylscopolamine from human muscarinic M2 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis


Bioorg Med Chem 21: 2651-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.072
BindingDB Entry DOI: 10.7270/Q2X92F6X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50491132
PNG
(CHEMBL2377261)
Show SMILES CC(C)N(CCOC(=O)C(O)(c1ccccc1)c1ccccc1)C(C)C
Show InChI InChI=1S/C22H29NO3/c1-17(2)23(18(3)4)15-16-26-21(24)22(25,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,25H,15-16H2,1-4H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
9.70n/an/an/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Displacement of [3H] N-methylscopolamine from human muscarinic M1 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis


Bioorg Med Chem 21: 2651-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.072
BindingDB Entry DOI: 10.7270/Q2X92F6X
More data for this
Ligand-Target Pair