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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 = 'BDBM50375384'   
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))
BDBM50375384
PNG
(CHEMBL263913)
Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CCCC1)C(C)(C)C
Show InChI InChI=1S/C22H27F4N3O/c1-21(2,3)17-12-18(29(28(17)4)13-14-8-5-6-9-14)27-20(30)15-10-7-11-16(19(15)23)22(24,25)26/h7,10-12,14H,5-6,8-9,13H2,1-4H3/b27-18+
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem 16: 1111-24 (2008)


Article DOI: 10.1016/j.bmc.2007.10.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375384
PNG
(CHEMBL263913)
Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CCCC1)C(C)(C)C
Show InChI InChI=1S/C22H27F4N3O/c1-21(2,3)17-12-18(29(28(17)4)13-14-8-5-6-9-14)27-20(30)15-10-7-11-16(19(15)23)22(24,25)26/h7,10-12,14H,5-6,8-9,13H2,1-4H3/b27-18+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.790n/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


Bioorg Med Chem 16: 1111-24 (2008)


Article DOI: 10.1016/j.bmc.2007.10.087
More data for this
Ligand-Target Pair