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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 319.4
BDBM50219351

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

Found 5 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))
BDBM50219351
PNG
(CHEMBL283320)
Show SMILES CN(C)CCNC(=O)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:8|
Show InChI InChI=1S/C20H21N3O/c1-23(2)12-11-22-20(24)19-14-16(13-15-7-9-21-10-8-15)17-5-3-4-6-18(17)19/h3-10,13-14H,11-12H2,1-2H3,(H,22,24)/b16-13+
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PubMed
1.58E+4n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M2 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50219351
PNG
(CHEMBL283320)
Show SMILES CN(C)CCNC(=O)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:8|
Show InChI InChI=1S/C20H21N3O/c1-23(2)12-11-22-20(24)19-14-16(13-15-7-9-21-10-8-15)17-5-3-4-6-18(17)19/h3-10,13-14H,11-12H2,1-2H3,(H,22,24)/b16-13+
UniProtKB/SwissProt

antibodypedia
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UniChem

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PubMed
2.40E+4n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M1 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50219351
PNG
(CHEMBL283320)
Show SMILES CN(C)CCNC(=O)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:8|
Show InChI InChI=1S/C20H21N3O/c1-23(2)12-11-22-20(24)19-14-16(13-15-7-9-21-10-8-15)17-5-3-4-6-18(17)19/h3-10,13-14H,11-12H2,1-2H3,(H,22,24)/b16-13+
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PubMed
2.45E+4n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M4 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50219351
PNG
(CHEMBL283320)
Show SMILES CN(C)CCNC(=O)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:8|
Show InChI InChI=1S/C20H21N3O/c1-23(2)12-11-22-20(24)19-14-16(13-15-7-9-21-10-8-15)17-5-3-4-6-18(17)19/h3-10,13-14H,11-12H2,1-2H3,(H,22,24)/b16-13+
PDB

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PubMed
4.57E+4n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M3 expressed in CHO cells by [3H]-NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50219351
PNG
(CHEMBL283320)
Show SMILES CN(C)CCNC(=O)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:8|
Show InChI InChI=1S/C20H21N3O/c1-23(2)12-11-22-20(24)19-14-16(13-15-7-9-21-10-8-15)17-5-3-4-6-18(17)19/h3-10,13-14H,11-12H2,1-2H3,(H,22,24)/b16-13+
Reactome pathway
KEGG

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PubMed
5.37E+4n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M5 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair