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Compile Data Set for Download or QSAR

Found 4 hits of ec50 for monomerid = 50042591   
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))
BDBM50042591
PNG
(CHEMBL3353862)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(cc2)C(F)(F)F)no1 |r|
Show InChI InChI=1S/C19H22F3N3O2/c1-18(2,3)15-11-16(24-27-15)23-17(26)14-5-4-10-25(14)13-8-6-12(7-9-13)19(20,21)22/h6-9,11,14H,4-5,10H2,1-3H3,(H,23,24,26)/t14-/m0/s1
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n/an/an/an/a 0.230n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins


Bioorg Med Chem Lett 25: 575-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.033
BindingDB Entry DOI: 10.7270/Q2222WGQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042591
PNG
(CHEMBL3353862)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(cc2)C(F)(F)F)no1 |r|
Show InChI InChI=1S/C19H22F3N3O2/c1-18(2,3)15-11-16(24-27-15)23-17(26)14-5-4-10-25(14)13-8-6-12(7-9-13)19(20,21)22/h6-9,11,14H,4-5,10H2,1-3H3,(H,23,24,26)/t14-/m0/s1
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n/an/an/an/a 0.230n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins


Bioorg Med Chem Lett 25: 581-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.019
BindingDB Entry DOI: 10.7270/Q2CN75H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042591
PNG
(CHEMBL3353862)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(cc2)C(F)(F)F)no1 |r|
Show InChI InChI=1S/C19H22F3N3O2/c1-18(2,3)15-11-16(24-27-15)23-17(26)14-5-4-10-25(14)13-8-6-12(7-9-13)19(20,21)22/h6-9,11,14H,4-5,10H2,1-3H3,(H,23,24,26)/t14-/m0/s1
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Article
PubMed
n/an/an/an/a 307n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins


Bioorg Med Chem Lett 25: 575-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.033
BindingDB Entry DOI: 10.7270/Q2222WGQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042591
PNG
(CHEMBL3353862)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(cc2)C(F)(F)F)no1 |r|
Show InChI InChI=1S/C19H22F3N3O2/c1-18(2,3)15-11-16(24-27-15)23-17(26)14-5-4-10-25(14)13-8-6-12(7-9-13)19(20,21)22/h6-9,11,14H,4-5,10H2,1-3H3,(H,23,24,26)/t14-/m0/s1
PDB

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Article
PubMed
n/an/an/an/a 307n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins


Bioorg Med Chem Lett 25: 581-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.019
BindingDB Entry DOI: 10.7270/Q2CN75H1
More data for this
Ligand-Target Pair