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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 = 'BDBM50273184'   
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))
BDBM50273184
PNG
(CHEMBL456535 | N-[(3Z)-1-Benzyl-2-oxo-1,2-dihydro-...)
Show SMILES O=C(NN=C1C(=O)N(Cc2ccccc2)c2ccccc12)c1ccccc1 |w:3.2|
Show InChI InChI=1S/C22H17N3O2/c26-21(17-11-5-2-6-12-17)24-23-20-18-13-7-8-14-19(18)25(22(20)27)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,24,26)
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Article
PubMed
18.5n/an/an/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHOK1 cells by liquid scintillation counting


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
BindingDB Entry DOI: 10.7270/Q2X067ZQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50273184
PNG
(CHEMBL456535 | N-[(3Z)-1-Benzyl-2-oxo-1,2-dihydro-...)
Show SMILES O=C(NN=C1C(=O)N(Cc2ccccc2)c2ccccc12)c1ccccc1 |w:3.2|
Show InChI InChI=1S/C22H17N3O2/c26-21(17-11-5-2-6-12-17)24-23-20-18-13-7-8-14-19(18)25(22(20)27)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,24,26)
PDB

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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/an/an/a 63.7n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS assay


J Med Chem 51: 4932-47 (2008)


Article DOI: 10.1021/jm8002203
BindingDB Entry DOI: 10.7270/Q2X067ZQ
More data for this
Ligand-Target Pair