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BDBM50244008 2-(4-(2,2,2-trifluoroethoxy)benzyl)-N,N-diethyl-1-isopentyl-1H-benzo[d]imidazole-5-carboxamide::CHEMBL452039

SMILES: CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OCC(F)(F)F)cc3)nc2c1

InChI Key: InChIKey=ICKZPCHRKFZOMO-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 = 50244008   
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))
BDBM50244008
PNG
(2-(4-(2,2,2-trifluoroethoxy)benzyl)-N,N-diethyl-1-...)
Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OCC(F)(F)F)cc3)nc2c1
Show InChI InChI=1S/C26H32F3N3O2/c1-5-31(6-2)25(33)20-9-12-23-22(16-20)30-24(32(23)14-13-18(3)4)15-19-7-10-21(11-8-19)34-17-26(27,28)29/h7-12,16,18H,5-6,13-15,17H2,1-4H3
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PC cid
PC sid
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Article
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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))
BDBM50244008
PNG
(2-(4-(2,2,2-trifluoroethoxy)benzyl)-N,N-diethyl-1-...)
Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OCC(F)(F)F)cc3)nc2c1
Show InChI InChI=1S/C26H32F3N3O2/c1-5-31(6-2)25(33)20-9-12-23-22(16-20)30-24(32(23)14-13-18(3)4)15-19-7-10-21(11-8-19)34-17-26(27,28)29/h7-12,16,18H,5-6,13-15,17H2,1-4H3
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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))
BDBM50244008
PNG
(2-(4-(2,2,2-trifluoroethoxy)benzyl)-N,N-diethyl-1-...)
Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OCC(F)(F)F)cc3)nc2c1
Show InChI InChI=1S/C26H32F3N3O2/c1-5-31(6-2)25(33)20-9-12-23-22(16-20)30-24(32(23)14-13-18(3)4)15-19-7-10-21(11-8-19)34-17-26(27,28)29/h7-12,16,18H,5-6,13-15,17H2,1-4H3
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PC sid
UniChem
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PubMed
n/an/an/an/a 65n/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