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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 378.5
BDBM50398222

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   
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))
BDBM50398222
PNG
(CHEMBL2177264)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C25H30O3/c1-4-5-6-10-13-25(2,3)20-16-22(26)21-15-19(24(27)28-23(21)17-20)14-18-11-8-7-9-12-18/h7-9,11-12,15-17,26H,4-6,10,13-14H2,1-3H3
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Article
PubMed
465n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHO cells after 2 hrs by liquid scintillation counter


J Med Chem 55: 7967-77 (2012)


Article DOI: 10.1021/jm3008213
BindingDB Entry DOI: 10.7270/Q2JM2BRJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50398222
PNG
(CHEMBL2177264)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C25H30O3/c1-4-5-6-10-13-25(2,3)20-16-22(26)21-15-19(24(27)28-23(21)17-20)14-18-11-8-7-9-12-18/h7-9,11-12,15-17,26H,4-6,10,13-14H2,1-3H3
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465n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO-K1 cell membrane measured after 3 hrs by scintillation spectrometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113354
BindingDB Entry DOI: 10.7270/Q2222ZMB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50398222
PNG
(CHEMBL2177264)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C25H30O3/c1-4-5-6-10-13-25(2,3)20-16-22(26)21-15-19(24(27)28-23(21)17-20)14-18-11-8-7-9-12-18/h7-9,11-12,15-17,26H,4-6,10,13-14H2,1-3H3
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PubMed
2.63E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor expressed in CHO cells after 2 hrs by liquid scintillation counter


J Med Chem 55: 7967-77 (2012)


Article DOI: 10.1021/jm3008213
BindingDB Entry DOI: 10.7270/Q2JM2BRJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50398222
PNG
(CHEMBL2177264)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C25H30O3/c1-4-5-6-10-13-25(2,3)20-16-22(26)21-15-19(24(27)28-23(21)17-20)14-18-11-8-7-9-12-18/h7-9,11-12,15-17,26H,4-6,10,13-14H2,1-3H3
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2.63E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in CHO-K1 cell membrane measured after 3 hrs by scintillation spectrometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113354
BindingDB Entry DOI: 10.7270/Q2222ZMB
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM50398222
PNG
(CHEMBL2177264)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C25H30O3/c1-4-5-6-10-13-25(2,3)20-16-22(26)21-15-19(24(27)28-23(21)17-20)14-18-11-8-7-9-12-18/h7-9,11-12,15-17,26H,4-6,10,13-14H2,1-3H3
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Article
PubMed
n/an/a 358n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR55 transfected in CHO cells assessed as inhibition of LPI-induced beta-arrestin recruitment incubated 60 mins prior t...


J Med Chem 56: 4798-810 (2013)


Article DOI: 10.1021/jm4005175
BindingDB Entry DOI: 10.7270/Q2GM88QX
More data for this
Ligand-Target Pair
N-arachidonyl glycine receptor


(Homo sapiens (Human))
BDBM50398222
PNG
(CHEMBL2177264)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C25H30O3/c1-4-5-6-10-13-25(2,3)20-16-22(26)21-15-19(24(27)28-23(21)17-20)14-18-11-8-7-9-12-18/h7-9,11-12,15-17,26H,4-6,10,13-14H2,1-3H3
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Article
PubMed
n/an/a 8.10E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR18 transfected in CHO cells assessed as delta9-THC-induced beta-arrestin recruitment incubated 60 mins prior to delta...


J Med Chem 56: 4798-810 (2013)


Article DOI: 10.1021/jm4005175
BindingDB Entry DOI: 10.7270/Q2GM88QX
More data for this
Ligand-Target Pair