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SMILES: COc1ccc2C3Oc4ccc5[nH]c(C)c(C(=O)OCC=C)c5c4CN3CCc2c1

InChI Key: InChIKey=HATAELBMIJKIHX-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 5 hits for monomerid = 50473813   
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 M4


(Homo sapiens (Human))
BDBM50473813
PNG
(CHEMBL420662)
Show SMILES COc1ccc2C3Oc4ccc5[nH]c(C)c(C(=O)OCC=C)c5c4CN3CCc2c1
Show InChI InChI=1S/C24H24N2O4/c1-4-11-29-24(27)21-14(2)25-19-7-8-20-18(22(19)21)13-26-10-9-15-12-16(28-3)5-6-17(15)23(26)30-20/h4-8,12,23,25H,1,9-11,13H2,2-3H3
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15n/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 M3


(Homo sapiens (Human))
BDBM50473813
PNG
(CHEMBL420662)
Show SMILES COc1ccc2C3Oc4ccc5[nH]c(C)c(C(=O)OCC=C)c5c4CN3CCc2c1
Show InChI InChI=1S/C24H24N2O4/c1-4-11-29-24(27)21-14(2)25-19-7-8-20-18(22(19)21)13-26-10-9-15-12-16(28-3)5-6-17(15)23(26)30-20/h4-8,12,23,25H,1,9-11,13H2,2-3H3
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407n/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))
BDBM50473813
PNG
(CHEMBL420662)
Show SMILES COc1ccc2C3Oc4ccc5[nH]c(C)c(C(=O)OCC=C)c5c4CN3CCc2c1
Show InChI InChI=1S/C24H24N2O4/c1-4-11-29-24(27)21-14(2)25-19-7-8-20-18(22(19)21)13-26-10-9-15-12-16(28-3)5-6-17(15)23(26)30-20/h4-8,12,23,25H,1,9-11,13H2,2-3H3
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1.07E+3n/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 M1


(Homo sapiens (Human))
BDBM50473813
PNG
(CHEMBL420662)
Show SMILES COc1ccc2C3Oc4ccc5[nH]c(C)c(C(=O)OCC=C)c5c4CN3CCc2c1
Show InChI InChI=1S/C24H24N2O4/c1-4-11-29-24(27)21-14(2)25-19-7-8-20-18(22(19)21)13-26-10-9-15-12-16(28-3)5-6-17(15)23(26)30-20/h4-8,12,23,25H,1,9-11,13H2,2-3H3
UniProtKB/SwissProt

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UniChem
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1.32E+3n/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 M5


(Homo sapiens (Human))
BDBM50473813
PNG
(CHEMBL420662)
Show SMILES COc1ccc2C3Oc4ccc5[nH]c(C)c(C(=O)OCC=C)c5c4CN3CCc2c1
Show InChI InChI=1S/C24H24N2O4/c1-4-11-29-24(27)21-14(2)25-19-7-8-20-18(22(19)21)13-26-10-9-15-12-16(28-3)5-6-17(15)23(26)30-20/h4-8,12,23,25H,1,9-11,13H2,2-3H3
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2.24E+3n/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