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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50244098'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244098
PNG
(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-N,N-bis(2...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)C(=O)N(CC(F)(F)F)CC(F)(F)F)cc1
Show InChI InChI=1S/C25H25F6N3O2/c1-2-36-19-8-5-16(6-9-19)11-22-32-20-12-18(7-10-21(20)34(22)13-17-3-4-17)23(35)33(14-24(26,27)28)15-25(29,30)31/h5-10,12,17H,2-4,11,13-15H2,1H3
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PC cid
PC sid
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Article
PubMed
5.60n/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 2


(Homo sapiens (Human))
BDBM50244098
PNG
(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-N,N-bis(2...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)C(=O)N(CC(F)(F)F)CC(F)(F)F)cc1
Show InChI InChI=1S/C25H25F6N3O2/c1-2-36-19-8-5-16(6-9-19)11-22-32-20-12-18(7-10-21(20)34(22)13-17-3-4-17)23(35)33(14-24(26,27)28)15-25(29,30)31/h5-10,12,17H,2-4,11,13-15H2,1H3
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2n/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