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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 = 'BDBM50463775'   
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)
BDBM50463775
PNG
(CHEMBL4240671)
Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCC(F)(F)F |r,c:4|
Show InChI InChI=1S/C22H28F3NO3/c1-13-6-7-17-16(10-13)20-18(27)11-15(12-19(20)29-21(17,3)4)14(2)26-28-9-5-8-22(23,24)25/h6,11-12,16-17,27H,5,7-10H2,1-4H3/b26-14+/t16-,17-/m0/s1
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0.5n/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))
BDBM50463775
PNG
(CHEMBL4240671)
Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCC(F)(F)F |r,c:4|
Show InChI InChI=1S/C22H28F3NO3/c1-13-6-7-17-16(10-13)20-18(27)11-15(12-19(20)29-21(17,3)4)14(2)26-28-9-5-8-22(23,24)25/h6,11-12,16-17,27H,5,7-10H2,1-4H3/b26-14+/t16-,17-/m0/s1
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3n/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))
BDBM50463775
PNG
(CHEMBL4240671)
Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCC(F)(F)F |r,c:4|
Show InChI InChI=1S/C22H28F3NO3/c1-13-6-7-17-16(10-13)20-18(27)11-15(12-19(20)29-21(17,3)4)14(2)26-28-9-5-8-22(23,24)25/h6,11-12,16-17,27H,5,7-10H2,1-4H3/b26-14+/t16-,17-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1n/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