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BDBM50395170 CHEMBL2163958

SMILES: Cc1cc2OCC(c3ccccc3)n3cc(C(=O)NC4CCCCC4)c(=O)c(c1)c23

InChI Key: InChIKey=LUTFEJUSDOPSHW-UHFFFAOYSA-N

Data: 4 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50395170   
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))
BDBM50395170
PNG
(CHEMBL2163958)
Show SMILES Cc1cc2OCC(c3ccccc3)n3cc(C(=O)NC4CCCCC4)c(=O)c(c1)c23
Show InChI InChI=1S/C25H26N2O3/c1-16-12-19-23-22(13-16)30-15-21(17-8-4-2-5-9-17)27(23)14-20(24(19)28)25(29)26-18-10-6-3-7-11-18/h2,4-5,8-9,12-14,18,21H,3,6-7,10-11,15H2,1H3,(H,26,29)
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18.4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50395170
PNG
(CHEMBL2163958)
Show SMILES Cc1cc2OCC(c3ccccc3)n3cc(C(=O)NC4CCCCC4)c(=O)c(c1)c23
Show InChI InChI=1S/C25H26N2O3/c1-16-12-19-23-22(13-16)30-15-21(17-8-4-2-5-9-17)27(23)14-20(24(19)28)25(29)26-18-10-6-3-7-11-18/h2,4-5,8-9,12-14,18,21H,3,6-7,10-11,15H2,1H3,(H,26,29)
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25n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in Sprague-Dawley rat spleen by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50395170
PNG
(CHEMBL2163958)
Show SMILES Cc1cc2OCC(c3ccccc3)n3cc(C(=O)NC4CCCCC4)c(=O)c(c1)c23
Show InChI InChI=1S/C25H26N2O3/c1-16-12-19-23-22(13-16)30-15-21(17-8-4-2-5-9-17)27(23)14-20(24(19)28)25(29)26-18-10-6-3-7-11-18/h2,4-5,8-9,12-14,18,21H,3,6-7,10-11,15H2,1H3,(H,26,29)
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1.35E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cell membranes incubated for 90 mins by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50395170
PNG
(CHEMBL2163958)
Show SMILES Cc1cc2OCC(c3ccccc3)n3cc(C(=O)NC4CCCCC4)c(=O)c(c1)c23
Show InChI InChI=1S/C25H26N2O3/c1-16-12-19-23-22(13-16)30-15-21(17-8-4-2-5-9-17)27(23)14-20(24(19)28)25(29)26-18-10-6-3-7-11-18/h2,4-5,8-9,12-14,18,21H,3,6-7,10-11,15H2,1H3,(H,26,29)
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1.57E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50395170
PNG
(CHEMBL2163958)
Show SMILES Cc1cc2OCC(c3ccccc3)n3cc(C(=O)NC4CCCCC4)c(=O)c(c1)c23
Show InChI InChI=1S/C25H26N2O3/c1-16-12-19-23-22(13-16)30-15-21(17-8-4-2-5-9-17)27(23)14-20(24(19)28)25(29)26-18-10-6-3-7-11-18/h2,4-5,8-9,12-14,18,21H,3,6-7,10-11,15H2,1H3,(H,26,29)
PDB

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PubMed
n/an/a 110n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-induced cAMP accumulation


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair