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BDBM50263411 1-[1'-(2-Nitro-benzyl)-[1,4']bipiperidinyl-4-yl]-1,3-dihydro-benzoimidazol-2-one::CHEMBL478034

SMILES: [O-][N+](=O)c1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O

InChI Key: InChIKey=RCRAYIPXTHUIJR-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 = 50263411   
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 M5


(Homo sapiens (Human))
BDBM50263411
PNG
(1-[1'-(2-Nitro-benzyl)-[1,4']bipiperidinyl-4-yl]-1...)
Show SMILES [O-][N+](=O)c1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C24H29N5O3/c30-24-25-21-6-2-4-8-23(21)28(24)20-11-15-27(16-12-20)19-9-13-26(14-10-19)17-18-5-1-3-7-22(18)29(31)32/h1-8,19-20H,9-17H2,(H,25,30)
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n/an/an/an/a>5.00E+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: 5439-42 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.023
BindingDB Entry DOI: 10.7270/Q2708198
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50263411
PNG
(1-[1'-(2-Nitro-benzyl)-[1,4']bipiperidinyl-4-yl]-1...)
Show SMILES [O-][N+](=O)c1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C24H29N5O3/c30-24-25-21-6-2-4-8-23(21)28(24)20-11-15-27(16-12-20)19-9-13-26(14-10-19)17-18-5-1-3-7-22(18)29(31)32/h1-8,19-20H,9-17H2,(H,25,30)
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n/an/an/an/a 120n/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: 5439-42 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.023
BindingDB Entry DOI: 10.7270/Q2708198
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50263411
PNG
(1-[1'-(2-Nitro-benzyl)-[1,4']bipiperidinyl-4-yl]-1...)
Show SMILES [O-][N+](=O)c1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C24H29N5O3/c30-24-25-21-6-2-4-8-23(21)28(24)20-11-15-27(16-12-20)19-9-13-26(14-10-19)17-18-5-1-3-7-22(18)29(31)32/h1-8,19-20H,9-17H2,(H,25,30)
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n/an/a 1.13E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of dopamine D2 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5439-42 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.023
BindingDB Entry DOI: 10.7270/Q2708198
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50263411
PNG
(1-[1'-(2-Nitro-benzyl)-[1,4']bipiperidinyl-4-yl]-1...)
Show SMILES [O-][N+](=O)c1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C24H29N5O3/c30-24-25-21-6-2-4-8-23(21)28(24)20-11-15-27(16-12-20)19-9-13-26(14-10-19)17-18-5-1-3-7-22(18)29(31)32/h1-8,19-20H,9-17H2,(H,25,30)
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n/an/an/an/a>5.00E+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: 5439-42 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.023
BindingDB Entry DOI: 10.7270/Q2708198
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50263411
PNG
(1-[1'-(2-Nitro-benzyl)-[1,4']bipiperidinyl-4-yl]-1...)
Show SMILES [O-][N+](=O)c1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C24H29N5O3/c30-24-25-21-6-2-4-8-23(21)28(24)20-11-15-27(16-12-20)19-9-13-26(14-10-19)17-18-5-1-3-7-22(18)29(31)32/h1-8,19-20H,9-17H2,(H,25,30)
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n/an/an/an/a>5.00E+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: 5439-42 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.023
BindingDB Entry DOI: 10.7270/Q2708198
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50263411
PNG
(1-[1'-(2-Nitro-benzyl)-[1,4']bipiperidinyl-4-yl]-1...)
Show SMILES [O-][N+](=O)c1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C24H29N5O3/c30-24-25-21-6-2-4-8-23(21)28(24)20-11-15-27(16-12-20)19-9-13-26(14-10-19)17-18-5-1-3-7-22(18)29(31)32/h1-8,19-20H,9-17H2,(H,25,30)
PDB

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PubMed
n/an/an/an/a>5.00E+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: 5439-42 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.023
BindingDB Entry DOI: 10.7270/Q2708198
More data for this
Ligand-Target Pair