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PubMed code 25671648

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))
BDBM50078147
PNG
(CHEMBL3417564)
Show SMILES CCCCCCC(C)(C)C1=CC2=C(c3[nH]ncc3C(C)(C)O2)C(=O)C1=O |t:9,11|
Show InChI InChI=1S/C21H28N2O3/c1-6-7-8-9-10-20(2,3)13-11-15-16(19(25)18(13)24)17-14(12-22-23-17)21(4,5)26-15/h11-12H,6-10H2,1-5H3,(H,22,23)
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PubMed
398n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor transfected in HEK293 cells after 90 mins by liquid scintillation spectrophotometry


J Med Chem 58: 2256-64 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00078
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50078149
PNG
(CHEMBL3417566)
Show SMILES CCCCCCC(C)(C)C1=CC2=C(c3c(cnn3CC)C(C)(C)O2)C(=O)C1=O |t:9,11|
Show InChI InChI=1S/C23H32N2O3/c1-7-9-10-11-12-22(3,4)15-13-17-18(21(27)20(15)26)19-16(23(5,6)28-17)14-24-25(19)8-2/h13-14H,7-12H2,1-6H3
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PubMed
529n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor transfected in HEK293 cells after 90 mins by liquid scintillation spectrophotometry


J Med Chem 58: 2256-64 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00078
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50078148
PNG
(CHEMBL3417565)
Show SMILES CCCCCCC(C)(C)C1=CC2=C(c3nn(C)cc3C(C)(C)O2)C(=O)C1=O |t:9,11|
Show InChI InChI=1S/C22H30N2O3/c1-7-8-9-10-11-21(2,3)14-12-16-17(20(26)19(14)25)18-15(13-24(6)23-18)22(4,5)27-16/h12-13H,7-11H2,1-6H3
PDB

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PubMed
597n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor transfected in HEK293 cells after 90 mins by liquid scintillation spectrophotometry


J Med Chem 58: 2256-64 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50078147
PNG
(CHEMBL3417564)
Show SMILES CCCCCCC(C)(C)C1=CC2=C(c3[nH]ncc3C(C)(C)O2)C(=O)C1=O |t:9,11|
Show InChI InChI=1S/C21H28N2O3/c1-6-7-8-9-10-20(2,3)13-11-15-16(19(25)18(13)24)17-14(12-22-23-17)21(4,5)26-15/h11-12H,6-10H2,1-5H3,(H,22,23)
PDB

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>4.00E+4n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor transfected in HEK293 cells after 90 mins by liquid scintillation spectrophotometry


J Med Chem 58: 2256-64 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50078148
PNG
(CHEMBL3417565)
Show SMILES CCCCCCC(C)(C)C1=CC2=C(c3nn(C)cc3C(C)(C)O2)C(=O)C1=O |t:9,11|
Show InChI InChI=1S/C22H30N2O3/c1-7-8-9-10-11-21(2,3)14-12-16-17(20(26)19(14)25)18-15(13-24(6)23-18)22(4,5)27-16/h12-13H,7-11H2,1-6H3
PDB

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UniChem
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PubMed
>4.00E+4n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor transfected in HEK293 cells after 90 mins by liquid scintillation spectrophotometry


J Med Chem 58: 2256-64 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50078149
PNG
(CHEMBL3417566)
Show SMILES CCCCCCC(C)(C)C1=CC2=C(c3c(cnn3CC)C(C)(C)O2)C(=O)C1=O |t:9,11|
Show InChI InChI=1S/C23H32N2O3/c1-7-9-10-11-12-22(3,4)15-13-17-18(21(27)20(15)26)19-16(23(5,6)28-17)14-24-25(19)8-2/h13-14H,7-12H2,1-6H3
PDB

NCI pathway
Reactome pathway
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PC sid
UniChem
Article
PubMed
>4.00E+4n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor transfected in HEK293 cells after 90 mins by liquid scintillation spectrophotometry


J Med Chem 58: 2256-64 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00078
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%