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BDBM50272347 5-(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)propylamino)-2-(2,2,2-trifluoroethoxy)nicotinonitrile::CHEMBL524839

SMILES: Fc1ccc(-c2noc(CCCNc3cnc(OCC(F)(F)F)c(c3)C#N)n2)c(Cl)c1

InChI Key: InChIKey=YVAYPXZJQGIWMD-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 = 50272347   
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))
BDBM50272347
PNG
(5-(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-...)
Show SMILES Fc1ccc(-c2noc(CCCNc3cnc(OCC(F)(F)F)c(c3)C#N)n2)c(Cl)c1
Show InChI InChI=1S/C19H14ClF4N5O2/c20-15-7-12(21)3-4-14(15)17-28-16(31-29-17)2-1-5-26-13-6-11(8-25)18(27-9-13)30-10-19(22,23)24/h3-4,6-7,9,26H,1-2,5,10H2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 130n/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))
BDBM50272347
PNG
(5-(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-...)
Show SMILES Fc1ccc(-c2noc(CCCNc3cnc(OCC(F)(F)F)c(c3)C#N)n2)c(Cl)c1
Show InChI InChI=1S/C19H14ClF4N5O2/c20-15-7-12(21)3-4-14(15)17-28-16(31-29-17)2-1-5-26-13-6-11(8-25)18(27-9-13)30-10-19(22,23)24/h3-4,6-7,9,26H,1-2,5,10H2
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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))
BDBM50272347
PNG
(5-(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-...)
Show SMILES Fc1ccc(-c2noc(CCCNc3cnc(OCC(F)(F)F)c(c3)C#N)n2)c(Cl)c1
Show InChI InChI=1S/C19H14ClF4N5O2/c20-15-7-12(21)3-4-14(15)17-28-16(31-29-17)2-1-5-26-13-6-11(8-25)18(27-9-13)30-10-19(22,23)24/h3-4,6-7,9,26H,1-2,5,10H2
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n/an/an/an/a 31n/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))
BDBM50272347
PNG
(5-(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-...)
Show SMILES Fc1ccc(-c2noc(CCCNc3cnc(OCC(F)(F)F)c(c3)C#N)n2)c(Cl)c1
Show InChI InChI=1S/C19H14ClF4N5O2/c20-15-7-12(21)3-4-14(15)17-28-16(31-29-17)2-1-5-26-13-6-11(8-25)18(27-9-13)30-10-19(22,23)24/h3-4,6-7,9,26H,1-2,5,10H2
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n/an/an/an/a 360n/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))
BDBM50272347
PNG
(5-(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-...)
Show SMILES Fc1ccc(-c2noc(CCCNc3cnc(OCC(F)(F)F)c(c3)C#N)n2)c(Cl)c1
Show InChI InChI=1S/C19H14ClF4N5O2/c20-15-7-12(21)3-4-14(15)17-28-16(31-29-17)2-1-5-26-13-6-11(8-25)18(27-9-13)30-10-19(22,23)24/h3-4,6-7,9,26H,1-2,5,10H2
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n/an/an/an/a 1.30E+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))
BDBM50272347
PNG
(5-(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-...)
Show SMILES Fc1ccc(-c2noc(CCCNc3cnc(OCC(F)(F)F)c(c3)C#N)n2)c(Cl)c1
Show InChI InChI=1S/C19H14ClF4N5O2/c20-15-7-12(21)3-4-14(15)17-28-16(31-29-17)2-1-5-26-13-6-11(8-25)18(27-9-13)30-10-19(22,23)24/h3-4,6-7,9,26H,1-2,5,10H2
PDB

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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