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3 similar compounds to monomer 50042061

Compile data set for download or QSAR
Wt: 414.4
BDBM50381882
Wt: 400.4
BDBM50381883
Wt: 377.4
BDBM50381884

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50381882,50381883,50381884   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50381882
PNG
(CHEMBL2022694)
Show SMILES Oc1c(C(=O)NC2CCCCCC2)c(=O)n(CCN2CCOCC2)c2ncccc12
Show InChI InChI=1S/C22H30N4O4/c27-19-17-8-5-9-23-20(17)26(11-10-25-12-14-30-15-13-25)22(29)18(19)21(28)24-16-6-3-1-2-4-7-16/h5,8-9,16,27H,1-4,6-7,10-15H2,(H,24,28)
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1.80n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in human HEK293 cell membrane after 90 mins


Eur J Med Chem 52: 284-94 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.031
BindingDB Entry DOI: 10.7270/Q2PK0H6K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50381883
PNG
(CHEMBL2022692)
Show SMILES Oc1c(C(=O)NC2CCCCC2)c(=O)n(CCN2CCOCC2)c2ncccc12
Show InChI InChI=1S/C21H28N4O4/c26-18-16-7-4-8-22-19(16)25(10-9-24-11-13-29-14-12-24)21(28)17(18)20(27)23-15-5-2-1-3-6-15/h4,7-8,15,26H,1-3,5-6,9-14H2,(H,23,27)
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2.40n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in human HEK293 cell membrane after 90 mins


Eur J Med Chem 52: 284-94 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.031
BindingDB Entry DOI: 10.7270/Q2PK0H6K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50381883
PNG
(CHEMBL2022692)
Show SMILES Oc1c(C(=O)NC2CCCCC2)c(=O)n(CCN2CCOCC2)c2ncccc12
Show InChI InChI=1S/C21H28N4O4/c26-18-16-7-4-8-22-19(16)25(10-9-24-11-13-29-14-12-24)21(28)17(18)20(27)23-15-5-2-1-3-6-15/h4,7-8,15,26H,1-3,5-6,9-14H2,(H,23,27)
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64.6n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in human HEK293 cell membrane after 90 mins


Eur J Med Chem 52: 284-94 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.031
BindingDB Entry DOI: 10.7270/Q2PK0H6K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50381884
PNG
(CHEMBL2022365)
Show SMILES Oc1c(C(=O)NC2CCCCC2)c(=O)n(Cc2ccccc2)c2ncccc12
Show InChI InChI=1S/C22H23N3O3/c26-19-17-12-7-13-23-20(17)25(14-15-8-3-1-4-9-15)22(28)18(19)21(27)24-16-10-5-2-6-11-16/h1,3-4,7-9,12-13,16,26H,2,5-6,10-11,14H2,(H,24,27)
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79n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in human HEK293 cell membrane after 90 mins


Eur J Med Chem 52: 284-94 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.031
BindingDB Entry DOI: 10.7270/Q2PK0H6K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50381882
PNG
(CHEMBL2022694)
Show SMILES Oc1c(C(=O)NC2CCCCCC2)c(=O)n(CCN2CCOCC2)c2ncccc12
Show InChI InChI=1S/C22H30N4O4/c27-19-17-8-5-9-23-20(17)26(11-10-25-12-14-30-15-13-25)22(29)18(19)21(28)24-16-6-3-1-2-4-7-16/h5,8-9,16,27H,1-4,6-7,10-15H2,(H,24,28)
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234n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in human HEK293 cell membrane after 90 mins


Eur J Med Chem 52: 284-94 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.031
BindingDB Entry DOI: 10.7270/Q2PK0H6K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50381884
PNG
(CHEMBL2022365)
Show SMILES Oc1c(C(=O)NC2CCCCC2)c(=O)n(Cc2ccccc2)c2ncccc12
Show InChI InChI=1S/C22H23N3O3/c26-19-17-12-7-13-23-20(17)25(14-15-8-3-1-4-9-15)22(28)18(19)21(27)24-16-10-5-2-6-11-16/h1,3-4,7-9,12-13,16,26H,2,5-6,10-11,14H2,(H,24,27)
PDB

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PubMed
560n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in human HEK293 cell membrane after 90 mins


Eur J Med Chem 52: 284-94 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.031
BindingDB Entry DOI: 10.7270/Q2PK0H6K
More data for this
Ligand-Target Pair