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BDBM50272315 CHEMBL524680::N-(3-Chloro-4-(trifluoromethyl)phenyl)-3-(3-(2-chloro-4-fluo-rophenyl)-1,2,4-oxadiazol-5-yl)propanamide

SMILES: Fc1ccc(-c2noc(CCC(=O)Nc3ccc(c(Cl)c3)C(F)(F)F)n2)c(Cl)c1

InChI Key: InChIKey=WLVORWCZCJGRGP-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50272315   
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


(Rattus norvegicus (Rat))
BDBM50272315
PNG
(CHEMBL524680 | N-(3-Chloro-4-(trifluoromethyl)phen...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3ccc(c(Cl)c3)C(F)(F)F)n2)c(Cl)c1
Show InChI InChI=1S/C18H11Cl2F4N3O2/c19-13-7-9(21)1-3-11(13)17-26-16(29-27-17)6-5-15(28)25-10-2-4-12(14(20)8-10)18(22,23)24/h1-4,7-8H,5-6H2,(H,25,28)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 79n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated intracellular cAMP level


J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50272315
PNG
(CHEMBL524680 | N-(3-Chloro-4-(trifluoromethyl)phen...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3ccc(c(Cl)c3)C(F)(F)F)n2)c(Cl)c1
Show InChI InChI=1S/C18H11Cl2F4N3O2/c19-13-7-9(21)1-3-11(13)17-26-16(29-27-17)6-5-15(28)25-10-2-4-12(14(20)8-10)18(22,23)24/h1-4,7-8H,5-6H2,(H,25,28)
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PC sid
UniChem
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n/an/an/an/a>1.00E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated intracellular cAMP level


J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272315
PNG
(CHEMBL524680 | N-(3-Chloro-4-(trifluoromethyl)phen...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3ccc(c(Cl)c3)C(F)(F)F)n2)c(Cl)c1
Show InChI InChI=1S/C18H11Cl2F4N3O2/c19-13-7-9(21)1-3-11(13)17-26-16(29-27-17)6-5-15(28)25-10-2-4-12(14(20)8-10)18(22,23)24/h1-4,7-8H,5-6H2,(H,25,28)
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n/an/an/an/a 62n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in Sf9 cells by GTP-europium binding assay


J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272315
PNG
(CHEMBL524680 | N-(3-Chloro-4-(trifluoromethyl)phen...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3ccc(c(Cl)c3)C(F)(F)F)n2)c(Cl)c1
Show InChI InChI=1S/C18H11Cl2F4N3O2/c19-13-7-9(21)1-3-11(13)17-26-16(29-27-17)6-5-15(28)25-10-2-4-12(14(20)8-10)18(22,23)24/h1-4,7-8H,5-6H2,(H,25,28)
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n/an/an/an/a 25n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated intracellular cAMP level


J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50272315
PNG
(CHEMBL524680 | N-(3-Chloro-4-(trifluoromethyl)phen...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3ccc(c(Cl)c3)C(F)(F)F)n2)c(Cl)c1
Show InChI InChI=1S/C18H11Cl2F4N3O2/c19-13-7-9(21)1-3-11(13)17-26-16(29-27-17)6-5-15(28)25-10-2-4-12(14(20)8-10)18(22,23)24/h1-4,7-8H,5-6H2,(H,25,28)
PDB

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PC sid
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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 by GTP-europium binding assay


J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50272315
PNG
(CHEMBL524680 | N-(3-Chloro-4-(trifluoromethyl)phen...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3ccc(c(Cl)c3)C(F)(F)F)n2)c(Cl)c1
Show InChI InChI=1S/C18H11Cl2F4N3O2/c19-13-7-9(21)1-3-11(13)17-26-16(29-27-17)6-5-15(28)25-10-2-4-12(14(20)8-10)18(22,23)24/h1-4,7-8H,5-6H2,(H,25,28)
PDB

NCI pathway
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PC cid
PC sid
UniChem
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 recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated intracellular cAMP level


J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair