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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 = 'BDBM50253704'   
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))
BDBM50253704
PNG
(5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-...)
Show SMILES Cc1c(nn(c1-c1ccc(Br)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C20H19BrCl2N4OS/c1-12-18(20(28)25-26-9-3-2-4-10-26)24-27(15-6-5-13(22)11-14(15)23)19(12)16-7-8-17(21)29-16/h5-8,11H,2-4,9-10H2,1H3,(H,25,28)
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PC cid
PC sid
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Article
PubMed
n/an/a 895n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50253704
PNG
(5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-...)
Show SMILES Cc1c(nn(c1-c1ccc(Br)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C20H19BrCl2N4OS/c1-12-18(20(28)25-26-9-3-2-4-10-26)24-27(15-6-5-13(22)11-14(15)23)19(12)16-7-8-17(21)29-16/h5-8,11H,2-4,9-10H2,1H3,(H,25,28)
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 2.32E+4n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB2 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
BindingDB Entry DOI: 10.7270/Q2TB16SP
More data for this
Ligand-Target Pair