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BDBM50275503 5-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one::CHEMBL485755

SMILES: Fc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1

InChI Key: InChIKey=YYFWUVQKYICWEJ-UHFFFAOYSA-N

Data: 1 IC50  5 EC50

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 6 hits for monomerid = 50275503   
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 M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50275503
PNG
(5-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Fc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29)
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Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M5 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5443-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50275503
PNG
(5-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Fc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29)
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PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at dopamine D2 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5443-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50275503
PNG
(5-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Fc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29)
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PubMed
n/an/an/an/a 2.30E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5443-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50275503
PNG
(5-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Fc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M3 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5443-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50275503
PNG
(5-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Fc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29)
Reactome pathway
KEGG

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PC sid
UniChem

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Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M4 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5443-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50275503
PNG
(5-fluoro-1-(1'-(phenylsulfonyl)-1,4'-bipiperidin-4...)
Show SMILES Fc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H27FN4O3S/c24-17-6-7-22-21(16-17)25-23(29)28(22)19-8-12-26(13-9-19)18-10-14-27(15-11-18)32(30,31)20-4-2-1-3-5-20/h1-7,16,18-19H,8-15H2,(H,25,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M2 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5443-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C
More data for this
Ligand-Target Pair