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SMILES: [Br-].[Br-].CC(C)(CN1C(=O)c2cccc3cccc(C1=O)c23)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1

InChI Key: InChIKey=HRBMQFVJXUEEOL-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 4 hits for monomerid = 50497836   
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))
BDBM50497836
PNG
(CHEMBL3323287)
Show SMILES [Br-].[Br-].CC(C)(CN1C(=O)c2cccc3cccc(C1=O)c23)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 |t:40|
Show InChI InChI=1S/C34H48N4O4/c1-34(2,25-36-32(39)28-17-13-15-27-16-14-18-29(31(27)28)33(36)40)26-38(5,6)22-10-8-7-9-20-37(3,4)21-11-12-23-41-30-19-24-42-35-30/h13-18H,7-10,19-26H2,1-6H3/q+2
PDB

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UniChem
Article
PubMed
11n/an/an/an/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from wild-type human muscarinic M2 receptor expressed in Flp-In-CHO cells by liquid scintillation counting


J Med Chem 57: 6739-50 (2014)


Article DOI: 10.1021/jm500790x
BindingDB Entry DOI: 10.7270/Q2RJ4NGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50497836
PNG
(CHEMBL3323287)
Show SMILES [Br-].[Br-].CC(C)(CN1C(=O)c2cccc3cccc(C1=O)c23)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 |t:40|
Show InChI InChI=1S/C34H48N4O4/c1-34(2,25-36-32(39)28-17-13-15-27-16-14-18-29(31(27)28)33(36)40)26-38(5,6)22-10-8-7-9-20-37(3,4)21-11-12-23-41-30-19-24-42-35-30/h13-18H,7-10,19-26H2,1-6H3/q+2
PDB

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UniChem
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14n/an/an/an/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 Y104A mutant expressed in Flp-In-CHO cells by liquid scintillation counting


J Med Chem 57: 6739-50 (2014)


Article DOI: 10.1021/jm500790x
BindingDB Entry DOI: 10.7270/Q2RJ4NGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50497836
PNG
(CHEMBL3323287)
Show SMILES [Br-].[Br-].CC(C)(CN1C(=O)c2cccc3cccc(C1=O)c23)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 |t:40|
Show InChI InChI=1S/C34H48N4O4/c1-34(2,25-36-32(39)28-17-13-15-27-16-14-18-29(31(27)28)33(36)40)26-38(5,6)22-10-8-7-9-20-37(3,4)21-11-12-23-41-30-19-24-42-35-30/h13-18H,7-10,19-26H2,1-6H3/q+2
PDB

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19n/an/an/an/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 W422A mutant expressed in Flp-In-CHO cells by liquid scintillation counting


J Med Chem 57: 6739-50 (2014)


Article DOI: 10.1021/jm500790x
BindingDB Entry DOI: 10.7270/Q2RJ4NGM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50497836
PNG
(CHEMBL3323287)
Show SMILES [Br-].[Br-].CC(C)(CN1C(=O)c2cccc3cccc(C1=O)c23)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 |t:40|
Show InChI InChI=1S/C34H48N4O4/c1-34(2,25-36-32(39)28-17-13-15-27-16-14-18-29(31(27)28)33(36)40)26-38(5,6)22-10-8-7-9-20-37(3,4)21-11-12-23-41-30-19-24-42-35-30/h13-18H,7-10,19-26H2,1-6H3/q+2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
27n/an/an/an/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 Y177Q/T423H mutant expressed in Flp-In-CHO cells by liquid scintillation counting


J Med Chem 57: 6739-50 (2014)


Article DOI: 10.1021/jm500790x
BindingDB Entry DOI: 10.7270/Q2RJ4NGM
More data for this
Ligand-Target Pair