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BDBM50006233 CHEMBL3235059

SMILES: CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2c2ccc(cn2)C(F)(F)F)no1

InChI Key: InChIKey=WPMZHAWRMPKXHR-ZDUSSCGKSA-N

Data: 7 EC50

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 7 hits for monomerid = 50006233   
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))
BDBM50006233
PNG
(CHEMBL3235059)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2c2ccc(cn2)C(F)(F)F)no1 |r|
Show InChI InChI=1S/C19H23F3N4O2/c1-18(2,3)14-10-15(25-28-14)24-17(27)13-6-4-5-9-26(13)16-8-7-12(11-23-16)19(20,21)22/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,24,25,27)/t13-/m0/s1
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n/an/an/an/a 0.0930n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


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


Cell Chem Biol 56: 8224-56 (2013)


Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50006233
PNG
(CHEMBL3235059)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2c2ccc(cn2)C(F)(F)F)no1 |r|
Show InChI InChI=1S/C19H23F3N4O2/c1-18(2,3)14-10-15(25-28-14)24-17(27)13-6-4-5-9-26(13)16-8-7-12(11-23-16)19(20,21)22/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,24,25,27)/t13-/m0/s1
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n/an/an/an/a 250n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
BindingDB Entry DOI: 10.7270/Q2QZ2CM5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50006233
PNG
(CHEMBL3235059)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2c2ccc(cn2)C(F)(F)F)no1 |r|
Show InChI InChI=1S/C19H23F3N4O2/c1-18(2,3)14-10-15(25-28-14)24-17(27)13-6-4-5-9-26(13)16-8-7-12(11-23-16)19(20,21)22/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,24,25,27)/t13-/m0/s1
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n/an/an/an/a 0.0930n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
BindingDB Entry DOI: 10.7270/Q2QZ2CM5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50006233
PNG
(CHEMBL3235059)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2c2ccc(cn2)C(F)(F)F)no1 |r|
Show InChI InChI=1S/C19H23F3N4O2/c1-18(2,3)14-10-15(25-28-14)24-17(27)13-6-4-5-9-26(13)16-8-7-12(11-23-16)19(20,21)22/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,24,25,27)/t13-/m0/s1
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n/an/an/an/a 250n/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 2


(Homo sapiens (Human))
BDBM50006233
PNG
(CHEMBL3235059)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2c2ccc(cn2)C(F)(F)F)no1 |r|
Show InChI InChI=1S/C19H23F3N4O2/c1-18(2,3)14-10-15(25-28-14)24-17(27)13-6-4-5-9-26(13)16-8-7-12(11-23-16)19(20,21)22/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,24,25,27)/t13-/m0/s1
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n/an/an/an/a 0.0930n/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 2


(Homo sapiens (Human))
BDBM50006233
PNG
(CHEMBL3235059)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2c2ccc(cn2)C(F)(F)F)no1 |r|
Show InChI InChI=1S/C19H23F3N4O2/c1-18(2,3)14-10-15(25-28-14)24-17(27)13-6-4-5-9-26(13)16-8-7-12(11-23-16)19(20,21)22/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,24,25,27)/t13-/m0/s1
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n/an/an/an/a 0.0900n/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 1


(Homo sapiens (Human))
BDBM50006233
PNG
(CHEMBL3235059)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2c2ccc(cn2)C(F)(F)F)no1 |r|
Show InChI InChI=1S/C19H23F3N4O2/c1-18(2,3)14-10-15(25-28-14)24-17(27)13-6-4-5-9-26(13)16-8-7-12(11-23-16)19(20,21)22/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,24,25,27)/t13-/m0/s1
PDB

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n/an/an/an/a 250n/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