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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50463779'   
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


(MOUSE)
BDBM50463779
PNG
(CHEMBL4245472)
Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N/OCCCc1ccccc1 |r,c:4|
Show InChI InChI=1S/C27H33NO3/c1-18-12-13-23-22(15-18)26-24(29)16-21(17-25(26)31-27(23,3)4)19(2)28-30-14-8-11-20-9-6-5-7-10-20/h5-7,9-10,12,16-17,22-23,29H,8,11,13-15H2,1-4H3/b28-19-/t22-,23-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
2.80n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant mouse Cb2 receptor expressed in HEK293 cells


Bioorg Med Chem 26: 4963-4970 (2018)


Article DOI: 10.1016/j.bmc.2018.08.003
BindingDB Entry DOI: 10.7270/Q2BG2RNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50463779
PNG
(CHEMBL4245472)
Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N/OCCCc1ccccc1 |r,c:4|
Show InChI InChI=1S/C27H33NO3/c1-18-12-13-23-22(15-18)26-24(29)16-21(17-25(26)31-27(23,3)4)19(2)28-30-14-8-11-20-9-6-5-7-10-20/h5-7,9-10,12,16-17,22-23,29H,8,11,13-15H2,1-4H3/b28-19-/t22-,23-/m0/s1
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PubMed
2.90n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human Cb2 receptor expressed in HEK293 cells


Bioorg Med Chem 26: 4963-4970 (2018)


Article DOI: 10.1016/j.bmc.2018.08.003
BindingDB Entry DOI: 10.7270/Q2BG2RNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50463779
PNG
(CHEMBL4245472)
Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N/OCCCc1ccccc1 |r,c:4|
Show InChI InChI=1S/C27H33NO3/c1-18-12-13-23-22(15-18)26-24(29)16-21(17-25(26)31-27(23,3)4)19(2)28-30-14-8-11-20-9-6-5-7-10-20/h5-7,9-10,12,16-17,22-23,29H,8,11,13-15H2,1-4H3/b28-19-/t22-,23-/m0/s1
PDB

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PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.70n/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human Cb2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP levels


Bioorg Med Chem 26: 4963-4970 (2018)


Article DOI: 10.1016/j.bmc.2018.08.003
BindingDB Entry DOI: 10.7270/Q2BG2RNX
More data for this
Ligand-Target Pair