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SMILES: CCCc1[nH]c2ccc3OC4N(CCc5cc(SC)ccc45)Cc3c2c1C(=O)OCC

InChI Key: InChIKey=COXRSODPRFBGSM-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 = 50473815   
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))
BDBM50473815
PNG
(CHEMBL104693)
Show SMILES CCCc1[nH]c2ccc3OC4N(CCc5cc(SC)ccc45)Cc3c2c1C(=O)OCC
Show InChI InChI=1S/C25H28N2O3S/c1-4-6-19-23(25(28)29-5-2)22-18-14-27-12-11-15-13-16(31-3)7-8-17(15)24(27)30-21(18)10-9-20(22)26-19/h7-10,13,24,26H,4-6,11-12,14H2,1-3H3
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1n/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))
BDBM50473815
PNG
(CHEMBL104693)
Show SMILES CCCc1[nH]c2ccc3OC4N(CCc5cc(SC)ccc45)Cc3c2c1C(=O)OCC
Show InChI InChI=1S/C25H28N2O3S/c1-4-6-19-23(25(28)29-5-2)22-18-14-27-12-11-15-13-16(31-3)7-8-17(15)24(27)30-21(18)10-9-20(22)26-19/h7-10,13,24,26H,4-6,11-12,14H2,1-3H3
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100n/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 M1


(Homo sapiens (Human))
BDBM50473815
PNG
(CHEMBL104693)
Show SMILES CCCc1[nH]c2ccc3OC4N(CCc5cc(SC)ccc45)Cc3c2c1C(=O)OCC
Show InChI InChI=1S/C25H28N2O3S/c1-4-6-19-23(25(28)29-5-2)22-18-14-27-12-11-15-13-16(31-3)7-8-17(15)24(27)30-21(18)10-9-20(22)26-19/h7-10,13,24,26H,4-6,11-12,14H2,1-3H3
UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
871n/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 M2


(Homo sapiens (Human))
BDBM50473815
PNG
(CHEMBL104693)
Show SMILES CCCc1[nH]c2ccc3OC4N(CCc5cc(SC)ccc45)Cc3c2c1C(=O)OCC
Show InChI InChI=1S/C25H28N2O3S/c1-4-6-19-23(25(28)29-5-2)22-18-14-27-12-11-15-13-16(31-3)7-8-17(15)24(27)30-21(18)10-9-20(22)26-19/h7-10,13,24,26H,4-6,11-12,14H2,1-3H3
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1.45E+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 M5


(Homo sapiens (Human))
BDBM50473815
PNG
(CHEMBL104693)
Show SMILES CCCc1[nH]c2ccc3OC4N(CCc5cc(SC)ccc45)Cc3c2c1C(=O)OCC
Show InChI InChI=1S/C25H28N2O3S/c1-4-6-19-23(25(28)29-5-2)22-18-14-27-12-11-15-13-16(31-3)7-8-17(15)24(27)30-21(18)10-9-20(22)26-19/h7-10,13,24,26H,4-6,11-12,14H2,1-3H3
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2.40E+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