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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 = 'BDBM50078767'   
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)
BDBM50078767
PNG
(CHEMBL3416126)
Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)[C@]12CC3CC(C[C@@](CC#N)(C3)C1)C2 |r,THB:23:22:32.24.25:31,25:24:21:26.31.30,25:26:21:32.24.23,27:26:21:32.24.23|
Show InChI InChI=1S/C27H35NO3/c1-25(2)21-4-3-19(29)10-20(21)24-22(30)8-18(9-23(24)31-25)27-13-16-7-17(14-27)12-26(11-16,15-27)5-6-28/h8-9,16-17,19-21,29-30H,3-5,7,10-15H2,1-2H3/t16?,17?,19-,20-,21-,26-,27+/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
4.40n/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))
BDBM50078767
PNG
(CHEMBL3416126)
Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)[C@]12CC3CC(C[C@@](CC#N)(C3)C1)C2 |r,THB:23:22:32.24.25:31,25:24:21:26.31.30,25:26:21:32.24.23,27:26:21:32.24.23|
Show InChI InChI=1S/C27H35NO3/c1-25(2)21-4-3-19(29)10-20(21)24-22(30)8-18(9-23(24)31-25)27-13-16-7-17(14-27)12-26(11-16,15-27)5-6-28/h8-9,16-17,19-21,29-30H,3-5,7,10-15H2,1-2H3/t16?,17?,19-,20-,21-,26-,27+/m1/s1
PDB

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KEGG

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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
4.60n/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))
BDBM50078767
PNG
(CHEMBL3416126)
Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)[C@]12CC3CC(C[C@@](CC#N)(C3)C1)C2 |r,THB:23:22:32.24.25:31,25:24:21:26.31.30,25:26:21:32.24.23,27:26:21:32.24.23|
Show InChI InChI=1S/C27H35NO3/c1-25(2)21-4-3-19(29)10-20(21)24-22(30)8-18(9-23(24)31-25)27-13-16-7-17(14-27)12-26(11-16,15-27)5-6-28/h8-9,16-17,19-21,29-30H,3-5,7,10-15H2,1-2H3/t16?,17?,19-,20-,21-,26-,27+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 83n/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