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BDBM50301311 (+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(trifluoromethyl)propanamide::3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(trifluoromethyl)propanamide::CHEMBL567594

SMILES: CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=ILACWWPQONYUHT-UHFFFAOYSA-N

Data: 6 KI  3 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 9 hits for monomerid = 50301311   
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))
BDBM50301311
PNG
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)
Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28)
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2.30n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50301311
PNG
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)
Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28)
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10n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50301311
PNG
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)
Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28)
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120n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50301311
PNG
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)
Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28)
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1.30E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50301311
PNG
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)
Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28)
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3.40E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50301311
PNG
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)
Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28)
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>5.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50301311
PNG
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)
Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28)
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n/an/an/an/a 72n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50301311
PNG
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)
Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28)
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n/an/an/an/a 41n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50301311
PNG
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)
Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28)
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n/an/an/an/a 3.60n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1
More data for this
Ligand-Target Pair