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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 = 'BDBM50463785'   
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)
BDBM50463785
PNG
(CHEMBL4238778)
Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N/OC(C)CCC |r,c:4|
Show InChI InChI=1S/C23H33NO3/c1-7-8-15(3)27-24-16(4)17-12-20(25)22-18-11-14(2)9-10-19(18)23(5,6)26-21(22)13-17/h9,12-13,15,18-19,25H,7-8,10-11H2,1-6H3/b24-16-/t15?,18-,19-/m0/s1
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PC sid
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Article
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1.90n/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))
BDBM50463785
PNG
(CHEMBL4238778)
Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N/OC(C)CCC |r,c:4|
Show InChI InChI=1S/C23H33NO3/c1-7-8-15(3)27-24-16(4)17-12-20(25)22-18-11-14(2)9-10-19(18)23(5,6)26-21(22)13-17/h9,12-13,15,18-19,25H,7-8,10-11H2,1-6H3/b24-16-/t15?,18-,19-/m0/s1
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6.10n/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))
BDBM50463785
PNG
(CHEMBL4238778)
Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N/OC(C)CCC |r,c:4|
Show InChI InChI=1S/C23H33NO3/c1-7-8-15(3)27-24-16(4)17-12-20(25)22-18-11-14(2)9-10-19(18)23(5,6)26-21(22)13-17/h9,12-13,15,18-19,25H,7-8,10-11H2,1-6H3/b24-16-/t15?,18-,19-/m0/s1
PDB

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Article
PubMed
n/an/an/an/a 12n/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