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BDBM50105069 1-[1-(2-Chloro-4-methoxy-benzyl)-piperidin-4-yl]-1,3-dihydro-benzoimidazol-2-one::CHEMBL112191

SMILES: COc1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c(Cl)c1

InChI Key: InChIKey=NLFJWBFDRSJFQD-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50105069   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50105069
PNG
(1-[1-(2-Chloro-4-methoxy-benzyl)-piperidin-4-yl]-1...)
Show SMILES COc1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c(Cl)c1
Show InChI InChI=1S/C20H22ClN3O2/c1-26-16-7-6-14(17(21)12-16)13-23-10-8-15(9-11-23)24-19-5-3-2-4-18(19)22-20(24)25/h2-7,12,15H,8-11,13H2,1H3,(H,22,25)
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PC cid
PC sid
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n/an/a 1.41E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against delta-opiate receptor (human) using [3H]-DPDPE radioligand


J Med Chem 44: 3378-90 (2001)


BindingDB Entry DOI: 10.7270/Q23X87B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50105069
PNG
(1-[1-(2-Chloro-4-methoxy-benzyl)-piperidin-4-yl]-1...)
Show SMILES COc1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c(Cl)c1
Show InChI InChI=1S/C20H22ClN3O2/c1-26-16-7-6-14(17(21)12-16)13-23-10-8-15(9-11-23)24-19-5-3-2-4-18(19)22-20(24)25/h2-7,12,15H,8-11,13H2,1H3,(H,22,25)
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n/an/a 16n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against mu-opiate receptor (human) using [3H]DAMGO radioligand


J Med Chem 44: 3378-90 (2001)


BindingDB Entry DOI: 10.7270/Q23X87B8
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50105069
PNG
(1-[1-(2-Chloro-4-methoxy-benzyl)-piperidin-4-yl]-1...)
Show SMILES COc1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c(Cl)c1
Show InChI InChI=1S/C20H22ClN3O2/c1-26-16-7-6-14(17(21)12-16)13-23-10-8-15(9-11-23)24-19-5-3-2-4-18(19)22-20(24)25/h2-7,12,15H,8-11,13H2,1H3,(H,22,25)
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n/an/a 270n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 using [3H]- U-69,593 radioligand


J Med Chem 44: 3378-90 (2001)


BindingDB Entry DOI: 10.7270/Q23X87B8
More data for this
Ligand-Target Pair