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BDBM50272277 3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-N-(6-(trifluoromethoxy)benzo[d]thiazol-2-yl)propanamide::CHEMBL499328

SMILES: Fc1ccc(-c2noc(CCC(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3)n2)c(Cl)c1

InChI Key: InChIKey=SUFGFZIEEOBOMA-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 = 50272277   
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 1


(Rattus norvegicus (rat))
BDBM50272277
PNG
(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3)n2)c(Cl)c1
Show InChI InChI=1S/C19H11ClF4N4O3S/c20-12-7-9(21)1-3-11(12)17-27-16(31-28-17)6-5-15(29)26-18-25-13-4-2-10(8-14(13)32-18)30-19(22,23)24/h1-4,7-8H,5-6H2,(H,25,26,29)
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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


(Rattus norvegicus (Rat))
BDBM50272277
PNG
(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3)n2)c(Cl)c1
Show InChI InChI=1S/C19H11ClF4N4O3S/c20-12-7-9(21)1-3-11(12)17-27-16(31-28-17)6-5-15(29)26-18-25-13-4-2-10(8-14(13)32-18)30-19(22,23)24/h1-4,7-8H,5-6H2,(H,25,26,29)
KEGG

UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.90n/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 2


(Homo sapiens (Human))
BDBM50272277
PNG
(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3)n2)c(Cl)c1
Show InChI InChI=1S/C19H11ClF4N4O3S/c20-12-7-9(21)1-3-11(12)17-27-16(31-28-17)6-5-15(29)26-18-25-13-4-2-10(8-14(13)32-18)30-19(22,23)24/h1-4,7-8H,5-6H2,(H,25,26,29)
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n/an/an/an/a 3n/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))
BDBM50272277
PNG
(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3)n2)c(Cl)c1
Show InChI InChI=1S/C19H11ClF4N4O3S/c20-12-7-9(21)1-3-11(12)17-27-16(31-28-17)6-5-15(29)26-18-25-13-4-2-10(8-14(13)32-18)30-19(22,23)24/h1-4,7-8H,5-6H2,(H,25,26,29)
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n/an/an/an/a 6.5n/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))
BDBM50272277
PNG
(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3)n2)c(Cl)c1
Show InChI InChI=1S/C19H11ClF4N4O3S/c20-12-7-9(21)1-3-11(12)17-27-16(31-28-17)6-5-15(29)26-18-25-13-4-2-10(8-14(13)32-18)30-19(22,23)24/h1-4,7-8H,5-6H2,(H,25,26,29)
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n/an/an/an/a 1.90E+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))
BDBM50272277
PNG
(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3)n2)c(Cl)c1
Show InChI InChI=1S/C19H11ClF4N4O3S/c20-12-7-9(21)1-3-11(12)17-27-16(31-28-17)6-5-15(29)26-18-25-13-4-2-10(8-14(13)32-18)30-19(22,23)24/h1-4,7-8H,5-6H2,(H,25,26,29)
PDB

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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 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