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BDBM50254103 2-(4-chlorophenylsulfonyl)-2-methyl-N-(4-(trifluoromethyl)phenyl)propanamide::CHEMBL466402

SMILES: CC(C)(C(=O)Nc1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=CSRCTMMPOWLLFA-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 = 50254103   
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))
BDBM50254103
PNG
(2-(4-chlorophenylsulfonyl)-2-methyl-N-(4-(trifluor...)
Show SMILES CC(C)(C(=O)Nc1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClF3NO3S/c1-16(2,26(24,25)14-9-5-12(18)6-10-14)15(23)22-13-7-3-11(4-8-13)17(19,20)21/h3-10H,1-2H3,(H,22,23)
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Article
PubMed
n/an/an/an/a 115n/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))
BDBM50254103
PNG
(2-(4-chlorophenylsulfonyl)-2-methyl-N-(4-(trifluor...)
Show SMILES CC(C)(C(=O)Nc1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClF3NO3S/c1-16(2,26(24,25)14-9-5-12(18)6-10-14)15(23)22-13-7-3-11(4-8-13)17(19,20)21/h3-10H,1-2H3,(H,22,23)
PDB

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Article
PubMed
n/an/an/an/a>1.00E+4n/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))
BDBM50254103
PNG
(2-(4-chlorophenylsulfonyl)-2-methyl-N-(4-(trifluor...)
Show SMILES CC(C)(C(=O)Nc1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClF3NO3S/c1-16(2,26(24,25)14-9-5-12(18)6-10-14)15(23)22-13-7-3-11(4-8-13)17(19,20)21/h3-10H,1-2H3,(H,22,23)
PDB

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Article
PubMed
n/an/an/an/a>1.00E+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))
BDBM50254103
PNG
(2-(4-chlorophenylsulfonyl)-2-methyl-N-(4-(trifluor...)
Show SMILES CC(C)(C(=O)Nc1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClF3NO3S/c1-16(2,26(24,25)14-9-5-12(18)6-10-14)15(23)22-13-7-3-11(4-8-13)17(19,20)21/h3-10H,1-2H3,(H,22,23)
PDB

Reactome pathway
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PC sid
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Article
PubMed
n/an/an/an/a 57n/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