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BDBM50277309 3,3,3-trifluoro-2-methyl-N-(4-methyl-3-(morpholinosulfonyl)phenyl)-2-(trifluoromethyl)propanamide::CHEMBL511150

SMILES: Cc1ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1S(=O)(=O)N1CCOCC1

InChI Key: InChIKey=KYLMGDPJMOYDEV-UHFFFAOYSA-N

Data: 4 KI  1 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 5 hits for monomerid = 50277309   
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))
BDBM50277309
PNG
(3,3,3-trifluoro-2-methyl-N-(4-methyl-3-(morpholino...)
Show SMILES Cc1ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C16H18F6N2O4S/c1-10-3-4-11(9-12(10)29(26,27)24-5-7-28-8-6-24)23-13(25)14(2,15(17,18)19)16(20,21)22/h3-4,9H,5-8H2,1-2H3,(H,23,25)
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23n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cloned CB2 receptor by scintillation spectrometry


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50277309
PNG
(3,3,3-trifluoro-2-methyl-N-(4-methyl-3-(morpholino...)
Show SMILES Cc1ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C16H18F6N2O4S/c1-10-3-4-11(9-12(10)29(26,27)24-5-7-28-8-6-24)23-13(25)14(2,15(17,18)19)16(20,21)22/h3-4,9H,5-8H2,1-2H3,(H,23,25)
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23n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50277309
PNG
(3,3,3-trifluoro-2-methyl-N-(4-methyl-3-(morpholino...)
Show SMILES Cc1ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C16H18F6N2O4S/c1-10-3-4-11(9-12(10)29(26,27)24-5-7-28-8-6-24)23-13(25)14(2,15(17,18)19)16(20,21)22/h3-4,9H,5-8H2,1-2H3,(H,23,25)
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470n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cloned CB1 receptor by scintillation spectrometry


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50277309
PNG
(3,3,3-trifluoro-2-methyl-N-(4-methyl-3-(morpholino...)
Show SMILES Cc1ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C16H18F6N2O4S/c1-10-3-4-11(9-12(10)29(26,27)24-5-7-28-8-6-24)23-13(25)14(2,15(17,18)19)16(20,21)22/h3-4,9H,5-8H2,1-2H3,(H,23,25)
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470n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB1 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50277309
PNG
(3,3,3-trifluoro-2-methyl-N-(4-methyl-3-(morpholino...)
Show SMILES Cc1ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C16H18F6N2O4S/c1-10-3-4-11(9-12(10)29(26,27)24-5-7-28-8-6-24)23-13(25)14(2,15(17,18)19)16(20,21)22/h3-4,9H,5-8H2,1-2H3,(H,23,25)
PDB

Reactome pathway
KEGG

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GoogleScholar
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PC sid
UniChem
Article
PubMed
n/an/an/an/a 29n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
More data for this
Ligand-Target Pair