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BDBM50254068 2-(2-chloro-4-(trifluoromethyl)phenylsulfonyl)-2-methyl-N-(quinolin-3-yl)propanamide::CHEMBL466185

SMILES: CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(cc1Cl)C(F)(F)F

InChI Key: InChIKey=CDMGPDPGOOJHDC-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50254068   
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))
BDBM50254068
PNG
(2-(2-chloro-4-(trifluoromethyl)phenylsulfonyl)-2-m...)
Show SMILES CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C20H16ClF3N2O3S/c1-19(2,18(27)26-14-9-12-5-3-4-6-16(12)25-11-14)30(28,29)17-8-7-13(10-15(17)21)20(22,23)24/h3-11H,1-2H3,(H,26,27)
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PubMed
n/an/an/an/a 19n/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in SF9 cells assessed as inhibition of CP55940-stimulated GTP binding


Bioorg Med Chem Lett 19: 31-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.026
BindingDB Entry DOI: 10.7270/Q2FF3S7X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50254068
PNG
(2-(2-chloro-4-(trifluoromethyl)phenylsulfonyl)-2-m...)
Show SMILES CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C20H16ClF3N2O3S/c1-19(2,18(27)26-14-9-12-5-3-4-6-16(12)25-11-14)30(28,29)17-8-7-13(10-15(17)21)20(22,23)24/h3-11H,1-2H3,(H,26,27)
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n/an/an/an/a 1.57E+3n/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP55940-stimulated GTP binding


Bioorg Med Chem Lett 19: 31-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.026
BindingDB Entry DOI: 10.7270/Q2FF3S7X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50254068
PNG
(2-(2-chloro-4-(trifluoromethyl)phenylsulfonyl)-2-m...)
Show SMILES CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C20H16ClF3N2O3S/c1-19(2,18(27)26-14-9-12-5-3-4-6-16(12)25-11-14)30(28,29)17-8-7-13(10-15(17)21)20(22,23)24/h3-11H,1-2H3,(H,26,27)
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n/an/an/an/a>2.00E+3n/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as suppression of forskolin-stimulated cAMP accumulation


Bioorg Med Chem Lett 19: 31-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.026
BindingDB Entry DOI: 10.7270/Q2FF3S7X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50254068
PNG
(2-(2-chloro-4-(trifluoromethyl)phenylsulfonyl)-2-m...)
Show SMILES CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C20H16ClF3N2O3S/c1-19(2,18(27)26-14-9-12-5-3-4-6-16(12)25-11-14)30(28,29)17-8-7-13(10-15(17)21)20(22,23)24/h3-11H,1-2H3,(H,26,27)
PDB

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Article
PubMed
n/an/an/an/a 73n/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as suppression of forskolin-stimulated cAMP accumulation


Bioorg Med Chem Lett 19: 31-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.026
BindingDB Entry DOI: 10.7270/Q2FF3S7X
More data for this
Ligand-Target Pair