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BDBM50243911 2-((4-ethoxyphenyl)(hydroxy)methyl)-N,N-diethyl-1-isopentyl-1H-benzo[d]imidazole-5-carboxamide::CHEMBL488816

SMILES: CCOc1ccc(cc1)C(O)c1nc2cc(ccc2n1CCC(C)C)C(=O)N(CC)CC

InChI Key: InChIKey=FVEIZTKTUZVAFD-UHFFFAOYSA-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 = 50243911   
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))
BDBM50243911
PNG
(2-((4-ethoxyphenyl)(hydroxy)methyl)-N,N-diethyl-1-...)
Show SMILES CCOc1ccc(cc1)C(O)c1nc2cc(ccc2n1CCC(C)C)C(=O)N(CC)CC
Show InChI InChI=1S/C26H35N3O3/c1-6-28(7-2)26(31)20-11-14-23-22(17-20)27-25(29(23)16-15-18(4)5)24(30)19-9-12-21(13-10-19)32-8-3/h9-14,17-18,24,30H,6-8,15-16H2,1-5H3
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PC cid
PC sid
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Article
PubMed
57n/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))
BDBM50243911
PNG
(2-((4-ethoxyphenyl)(hydroxy)methyl)-N,N-diethyl-1-...)
Show SMILES CCOc1ccc(cc1)C(O)c1nc2cc(ccc2n1CCC(C)C)C(=O)N(CC)CC
Show InChI InChI=1S/C26H35N3O3/c1-6-28(7-2)26(31)20-11-14-23-22(17-20)27-25(29(23)16-15-18(4)5)24(30)19-9-12-21(13-10-19)32-8-3/h9-14,17-18,24,30H,6-8,15-16H2,1-5H3
PDB

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PubMed
>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))
BDBM50243911
PNG
(2-((4-ethoxyphenyl)(hydroxy)methyl)-N,N-diethyl-1-...)
Show SMILES CCOc1ccc(cc1)C(O)c1nc2cc(ccc2n1CCC(C)C)C(=O)N(CC)CC
Show InChI InChI=1S/C26H35N3O3/c1-6-28(7-2)26(31)20-11-14-23-22(17-20)27-25(29(23)16-15-18(4)5)24(30)19-9-12-21(13-10-19)32-8-3/h9-14,17-18,24,30H,6-8,15-16H2,1-5H3
PDB

Reactome pathway
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Article
PubMed
n/an/an/an/a 69n/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