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BDBM50275379 4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-(3-(trifluoromethylthio)phenyl)-1,4'-bipiperidine-1'-carboxamide::CHEMBL486331

SMILES: FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1

InChI Key: InChIKey=CKUGQYKWEJWUKL-UHFFFAOYSA-N

Data: 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 5 hits for monomerid = 50275379   
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))
BDBM50275379
PNG
(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-(...)
Show SMILES FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
Show InChI InChI=1S/C25H28F3N5O2S/c26-25(27,28)36-20-5-3-4-17(16-20)29-23(34)32-14-8-18(9-15-32)31-12-10-19(11-13-31)33-22-7-2-1-6-21(22)30-24(33)35/h1-7,16,18-19H,8-15H2,(H,29,34)(H,30,35)
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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
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50275379
PNG
(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-(...)
Show SMILES FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
Show InChI InChI=1S/C25H28F3N5O2S/c26-25(27,28)36-20-5-3-4-17(16-20)29-23(34)32-14-8-18(9-15-32)31-12-10-19(11-13-31)33-22-7-2-1-6-21(22)30-24(33)35/h1-7,16,18-19H,8-15H2,(H,29,34)(H,30,35)
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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50275379
PNG
(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-(...)
Show SMILES FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
Show InChI InChI=1S/C25H28F3N5O2S/c26-25(27,28)36-20-5-3-4-17(16-20)29-23(34)32-14-8-18(9-15-32)31-12-10-19(11-13-31)33-22-7-2-1-6-21(22)30-24(33)35/h1-7,16,18-19H,8-15H2,(H,29,34)(H,30,35)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 6.50E+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 M4


(Homo sapiens (Human))
BDBM50275379
PNG
(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-(...)
Show SMILES FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
Show InChI InChI=1S/C25H28F3N5O2S/c26-25(27,28)36-20-5-3-4-17(16-20)29-23(34)32-14-8-18(9-15-32)31-12-10-19(11-13-31)33-22-7-2-1-6-21(22)30-24(33)35/h1-7,16,18-19H,8-15H2,(H,29,34)(H,30,35)
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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 M3


(Homo sapiens (Human))
BDBM50275379
PNG
(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-(...)
Show SMILES FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
Show InChI InChI=1S/C25H28F3N5O2S/c26-25(27,28)36-20-5-3-4-17(16-20)29-23(34)32-14-8-18(9-15-32)31-12-10-19(11-13-31)33-22-7-2-1-6-21(22)30-24(33)35/h1-7,16,18-19H,8-15H2,(H,29,34)(H,30,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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 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