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BDBM50272343 3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)propanamide::CHEMBL500926

SMILES: Fc1ccc(-c2noc(CCC(=O)Nc3ccc(nc3)C(F)(F)F)n2)c(Cl)c1

InChI Key: InChIKey=OEKIQSIIDRYSEZ-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 = 50272343   
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))
BDBM50272343
PNG
(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3ccc(nc3)C(F)(F)F)n2)c(Cl)c1
Show InChI InChI=1S/C17H11ClF4N4O2/c18-12-7-9(19)1-3-11(12)16-25-15(28-26-16)6-5-14(27)24-10-2-4-13(23-8-10)17(20,21)22/h1-4,7-8H,5-6H2,(H,24,27)
KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 73n/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))
BDBM50272343
PNG
(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3ccc(nc3)C(F)(F)F)n2)c(Cl)c1
Show InChI InChI=1S/C17H11ClF4N4O2/c18-12-7-9(19)1-3-11(12)16-25-15(28-26-16)6-5-14(27)24-10-2-4-13(23-8-10)17(20,21)22/h1-4,7-8H,5-6H2,(H,24,27)
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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))
BDBM50272343
PNG
(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3ccc(nc3)C(F)(F)F)n2)c(Cl)c1
Show InChI InChI=1S/C17H11ClF4N4O2/c18-12-7-9(19)1-3-11(12)16-25-15(28-26-16)6-5-14(27)24-10-2-4-13(23-8-10)17(20,21)22/h1-4,7-8H,5-6H2,(H,24,27)
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n/an/an/an/a 97n/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))
BDBM50272343
PNG
(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3ccc(nc3)C(F)(F)F)n2)c(Cl)c1
Show InChI InChI=1S/C17H11ClF4N4O2/c18-12-7-9(19)1-3-11(12)16-25-15(28-26-16)6-5-14(27)24-10-2-4-13(23-8-10)17(20,21)22/h1-4,7-8H,5-6H2,(H,24,27)
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n/an/an/an/a 78n/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))
BDBM50272343
PNG
(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3ccc(nc3)C(F)(F)F)n2)c(Cl)c1
Show InChI InChI=1S/C17H11ClF4N4O2/c18-12-7-9(19)1-3-11(12)16-25-15(28-26-16)6-5-14(27)24-10-2-4-13(23-8-10)17(20,21)22/h1-4,7-8H,5-6H2,(H,24,27)
PDB

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n/an/an/an/a 2.80E+3n/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))
BDBM50272343
PNG
(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3ccc(nc3)C(F)(F)F)n2)c(Cl)c1
Show InChI InChI=1S/C17H11ClF4N4O2/c18-12-7-9(19)1-3-11(12)16-25-15(28-26-16)6-5-14(27)24-10-2-4-13(23-8-10)17(20,21)22/h1-4,7-8H,5-6H2,(H,24,27)
PDB

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PC sid
UniChem
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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