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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 = 'BDBM50375393'   
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))
BDBM50375393
PNG
(CHEMBL402938)
Show SMILES Cn1c(c\c(=N/C(=O)c2cc(ccc2F)C(F)(F)F)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C20H23F4N3O/c1-19(2,3)16-10-17(27(26(16)4)11-12-5-6-12)25-18(28)14-9-13(20(22,23)24)7-8-15(14)21/h7-10,12H,5-6,11H2,1-4H3/b25-17+
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 23n/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
BindingDB Entry DOI: 10.7270/Q208665C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375393
PNG
(CHEMBL402938)
Show SMILES Cn1c(c\c(=N/C(=O)c2cc(ccc2F)C(F)(F)F)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C20H23F4N3O/c1-19(2,3)16-10-17(27(26(16)4)11-12-5-6-12)25-18(28)14-9-13(20(22,23)24)7-8-15(14)21/h7-10,12H,5-6,11H2,1-4H3/b25-17+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8.80n/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
BindingDB Entry DOI: 10.7270/Q208665C
More data for this
Ligand-Target Pair