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BDBM50243859 (S)-2-(4-ethoxybenzyl)-N,N-diethyl-1-(piperidin-2-ylmethyl)-1H-benzo[d]imidazole-5-carboxamide::CHEMBL486440

SMILES: CCOc1ccc(Cc2nc3cc(ccc3n2C[C@@H]2CCCCN2)C(=O)N(CC)CC)cc1

InChI Key: InChIKey=JOXLFIXMIHXCKT-QFIPXVFZSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50243859   
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243859
PNG
((S)-2-(4-ethoxybenzyl)-N,N-diethyl-1-(piperidin-2-...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2C[C@@H]2CCCCN2)C(=O)N(CC)CC)cc1 |r|
Show InChI InChI=1S/C27H36N4O2/c1-4-30(5-2)27(32)21-12-15-25-24(18-21)29-26(31(25)19-22-9-7-8-16-28-22)17-20-10-13-23(14-11-20)33-6-3/h10-15,18,22,28H,4-9,16-17,19H2,1-3H3/t22-/m0/s1
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PC cid
PC sid
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75n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243859
PNG
((S)-2-(4-ethoxybenzyl)-N,N-diethyl-1-(piperidin-2-...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2C[C@@H]2CCCCN2)C(=O)N(CC)CC)cc1 |r|
Show InChI InChI=1S/C27H36N4O2/c1-4-30(5-2)27(32)21-12-15-25-24(18-21)29-26(31(25)19-22-9-7-8-16-28-22)17-20-10-13-23(14-11-20)33-6-3/h10-15,18,22,28H,4-9,16-17,19H2,1-3H3/t22-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243859
PNG
((S)-2-(4-ethoxybenzyl)-N,N-diethyl-1-(piperidin-2-...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2C[C@@H]2CCCCN2)C(=O)N(CC)CC)cc1 |r|
Show InChI InChI=1S/C27H36N4O2/c1-4-30(5-2)27(32)21-12-15-25-24(18-21)29-26(31(25)19-22-9-7-8-16-28-22)17-20-10-13-23(14-11-20)33-6-3/h10-15,18,22,28H,4-9,16-17,19H2,1-3H3/t22-/m0/s1
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n/an/an/an/a 25n/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Agonist activity at cloned human CB2 receptor in Sf9 cells assessed as stimulation of [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair