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BDBM50473797 CHEMBL105674

SMILES: CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(Cl)ccc45)Cc3c12

InChI Key: InChIKey=BRKQBHOIDPLFHE-UHFFFAOYSA-N

Data: 5 KI

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 = 50473797   
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))
BDBM50473797
PNG
(CHEMBL105674)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(Cl)ccc45)Cc3c12
Show InChI InChI=1S/C22H21ClN2O3/c1-3-27-22(26)19-12(2)24-17-6-7-18-16(20(17)19)11-25-9-8-13-10-14(23)4-5-15(13)21(25)28-18/h4-7,10,21,24H,3,8-9,11H2,1-2H3
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PC sid
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363n/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))
BDBM50473797
PNG
(CHEMBL105674)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(Cl)ccc45)Cc3c12
Show InChI InChI=1S/C22H21ClN2O3/c1-3-27-22(26)19-12(2)24-17-6-7-18-16(20(17)19)11-25-9-8-13-10-14(23)4-5-15(13)21(25)28-18/h4-7,10,21,24H,3,8-9,11H2,1-2H3
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2.75E+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 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))
BDBM50473797
PNG
(CHEMBL105674)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(Cl)ccc45)Cc3c12
Show InChI InChI=1S/C22H21ClN2O3/c1-3-27-22(26)19-12(2)24-17-6-7-18-16(20(17)19)11-25-9-8-13-10-14(23)4-5-15(13)21(25)28-18/h4-7,10,21,24H,3,8-9,11H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.24E+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 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))
BDBM50473797
PNG
(CHEMBL105674)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(Cl)ccc45)Cc3c12
Show InChI InChI=1S/C22H21ClN2O3/c1-3-27-22(26)19-12(2)24-17-6-7-18-16(20(17)19)11-25-9-8-13-10-14(23)4-5-15(13)21(25)28-18/h4-7,10,21,24H,3,8-9,11H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.13E+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))
BDBM50473797
PNG
(CHEMBL105674)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(Cl)ccc45)Cc3c12
Show InChI InChI=1S/C22H21ClN2O3/c1-3-27-22(26)19-12(2)24-17-6-7-18-16(20(17)19)11-25-9-8-13-10-14(23)4-5-15(13)21(25)28-18/h4-7,10,21,24H,3,8-9,11H2,1-2H3
Reactome pathway
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PC sid
UniChem
Article
PubMed
5.37E+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