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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 = 'BDBM50078763'   
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)
BDBM50078763
PNG
(CHEMBL3416122)
Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)[C@@]12CC3CC(C[C@](C3)(C1)C#N)C2 |r,TLB:23:24:21.22.27:28,27:22:31:26.28.25,27:26:31:21.22.23|
Show InChI InChI=1S/C26H33NO3/c1-24(2)20-4-3-18(28)8-19(20)23-21(29)6-17(7-22(23)30-24)26-11-15-5-16(12-26)10-25(9-15,13-26)14-27/h6-7,15-16,18-20,28-29H,3-5,8-13H2,1-2H3/t15?,16?,18-,19-,20-,25-,26-/m1/s1
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Article
PubMed
2.80n/an/an/an/an/an/an/an/a



University of Hawaii at Manoa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cell membranes


J Med Chem 58: 3104-16 (2015)


Article DOI: 10.1021/jm501960u
BindingDB Entry DOI: 10.7270/Q22R3TBC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50078763
PNG
(CHEMBL3416122)
Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)[C@@]12CC3CC(C[C@](C3)(C1)C#N)C2 |r,TLB:23:24:21.22.27:28,27:22:31:26.28.25,27:26:31:21.22.23|
Show InChI InChI=1S/C26H33NO3/c1-24(2)20-4-3-18(28)8-19(20)23-21(29)6-17(7-22(23)30-24)26-11-15-5-16(12-26)10-25(9-15,13-26)14-27/h6-7,15-16,18-20,28-29H,3-5,8-13H2,1-2H3/t15?,16?,18-,19-,20-,25-,26-/m1/s1
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Article
PubMed
4.20n/an/an/an/an/an/an/an/a



University of Hawaii at Manoa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cell membranes


J Med Chem 58: 3104-16 (2015)


Article DOI: 10.1021/jm501960u
BindingDB Entry DOI: 10.7270/Q22R3TBC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50078763
PNG
(CHEMBL3416122)
Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)[C@@]12CC3CC(C[C@](C3)(C1)C#N)C2 |r,TLB:23:24:21.22.27:28,27:22:31:26.28.25,27:26:31:21.22.23|
Show InChI InChI=1S/C26H33NO3/c1-24(2)20-4-3-18(28)8-19(20)23-21(29)6-17(7-22(23)30-24)26-11-15-5-16(12-26)10-25(9-15,13-26)14-27/h6-7,15-16,18-20,28-29H,3-5,8-13H2,1-2H3/t15?,16?,18-,19-,20-,25-,26-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 91n/an/an/an/a



University of Hawaii at Manoa

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for ...


J Med Chem 58: 3104-16 (2015)


Article DOI: 10.1021/jm501960u
BindingDB Entry DOI: 10.7270/Q22R3TBC
More data for this
Ligand-Target Pair