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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 378.4
BDBM50473809

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 M4


(Homo sapiens (Human))
BDBM50473809
PNG
(CHEMBL107680)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(O)ccc45)Cc3c12
Show InChI InChI=1S/C22H22N2O4/c1-3-27-22(26)19-12(2)23-17-6-7-18-16(20(17)19)11-24-9-8-13-10-14(25)4-5-15(13)21(24)28-18/h4-7,10,21,23,25H,3,8-9,11H2,1-2H3
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>1.23E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M4 in transfected CHO cells.


J Med Chem 45: 3094-102 (2002)


Article DOI: 10.1021/jm011116o
BindingDB Entry DOI: 10.7270/Q2BZ68S8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50473809
PNG
(CHEMBL107680)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(O)ccc45)Cc3c12
Show InChI InChI=1S/C22H22N2O4/c1-3-27-22(26)19-12(2)23-17-6-7-18-16(20(17)19)11-24-9-8-13-10-14(25)4-5-15(13)21(24)28-18/h4-7,10,21,23,25H,3,8-9,11H2,1-2H3
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antibodypedia
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PC sid
UniChem
Article
PubMed
>2.19E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M1 in transfected CHO cells.


J Med Chem 45: 3094-102 (2002)


Article DOI: 10.1021/jm011116o
BindingDB Entry DOI: 10.7270/Q2BZ68S8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50473809
PNG
(CHEMBL107680)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(O)ccc45)Cc3c12
Show InChI InChI=1S/C22H22N2O4/c1-3-27-22(26)19-12(2)23-17-6-7-18-16(20(17)19)11-24-9-8-13-10-14(25)4-5-15(13)21(24)28-18/h4-7,10,21,23,25H,3,8-9,11H2,1-2H3
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2.57E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M3 in transfected CHO cells.


J Med Chem 45: 3094-102 (2002)


Article DOI: 10.1021/jm011116o
BindingDB Entry DOI: 10.7270/Q2BZ68S8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50473809
PNG
(CHEMBL107680)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(O)ccc45)Cc3c12
Show InChI InChI=1S/C22H22N2O4/c1-3-27-22(26)19-12(2)23-17-6-7-18-16(20(17)19)11-24-9-8-13-10-14(25)4-5-15(13)21(24)28-18/h4-7,10,21,23,25H,3,8-9,11H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
>2.69E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M2 in transfected CHO cells.


J Med Chem 45: 3094-102 (2002)


Article DOI: 10.1021/jm011116o
BindingDB Entry DOI: 10.7270/Q2BZ68S8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50473809
PNG
(CHEMBL107680)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(O)ccc45)Cc3c12
Show InChI InChI=1S/C22H22N2O4/c1-3-27-22(26)19-12(2)23-17-6-7-18-16(20(17)19)11-24-9-8-13-10-14(25)4-5-15(13)21(24)28-18/h4-7,10,21,23,25H,3,8-9,11H2,1-2H3
Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
>2.82E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M5 in transfected CHO cells.


J Med Chem 45: 3094-102 (2002)


Article DOI: 10.1021/jm011116o
BindingDB Entry DOI: 10.7270/Q2BZ68S8
More data for this
Ligand-Target Pair