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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 = 'BDBM50265741'   
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))
BDBM50265741
PNG
(CHEMBL523727 | N-(1-(cyclohexylmethyl)-2-((2,3-dih...)
Show SMILES CN(c1ccc2n(CC3CCCCC3)c(Cc3ccc4OCCc4c3)nc2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H33N3O3S/c1-32(37(34,35)26-10-6-3-7-11-26)25-13-14-28-27(20-25)31-30(33(28)21-22-8-4-2-5-9-22)19-23-12-15-29-24(18-23)16-17-36-29/h3,6-7,10-15,18,20,22H,2,4-5,8-9,16-17,19,21H2,1H3
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor by competition binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
BindingDB Entry DOI: 10.7270/Q20G3M2X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50265741
PNG
(CHEMBL523727 | N-(1-(cyclohexylmethyl)-2-((2,3-dih...)
Show SMILES CN(c1ccc2n(CC3CCCCC3)c(Cc3ccc4OCCc4c3)nc2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H33N3O3S/c1-32(37(34,35)26-10-6-3-7-11-26)25-13-14-28-27(20-25)31-30(33(28)21-22-8-4-2-5-9-22)19-23-12-15-29-24(18-23)16-17-36-29/h3,6-7,10-15,18,20,22H,2,4-5,8-9,16-17,19,21H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.20n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at CB2 receptor


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
BindingDB Entry DOI: 10.7270/Q20G3M2X
More data for this
Ligand-Target Pair