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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 = 'BDBM50397392'   
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))
BDBM50397392
PNG
(CHEMBL2170546)
Show SMILES CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)cc1C |TLB:15:16:13.14.19:20,THB:15:14:20:21.16.17,17:16:13:19.18.20,17:18:13:21.15.16|
Show InChI InChI=1S/C23H34N2O2/c1-3-4-5-6-25-14-20(21(26)7-16(25)2)22(27)24-15-23-11-17-8-18(12-23)10-19(9-17)13-23/h7,14,17-19H,3-6,8-13,15H2,1-2H3,(H,24,27)
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PC cid
PC sid
UniChem
Article
PubMed
15.2n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397392
PNG
(CHEMBL2170546)
Show SMILES CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)cc1C |TLB:15:16:13.14.19:20,THB:15:14:20:21.16.17,17:16:13:19.18.20,17:18:13:21.15.16|
Show InChI InChI=1S/C23H34N2O2/c1-3-4-5-6-25-14-20(21(26)7-16(25)2)22(27)24-15-23-11-17-8-18(12-23)10-19(9-17)13-23/h7,14,17-19H,3-6,8-13,15H2,1-2H3,(H,24,27)
PDB

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 53.1n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


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


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair