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BDBM50272429 2-tert-Butyl-5-(3-(3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)propoxy)pyrimidine::CHEMBL524826

SMILES: CC(C)(C)c1ncc(OCCCc2nc(no2)-c2ccc(F)cc2Cl)cn1

InChI Key: InChIKey=GASFAQIEJVLYMT-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 = 50272429   
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))
BDBM50272429
PNG
(2-tert-Butyl-5-(3-(3-(2-chloro-4-fluorophenyl)-1,2...)
Show SMILES CC(C)(C)c1ncc(OCCCc2nc(no2)-c2ccc(F)cc2Cl)cn1
Show InChI InChI=1S/C19H20ClFN4O2/c1-19(2,3)18-22-10-13(11-23-18)26-8-4-5-16-24-17(25-27-16)14-7-6-12(21)9-15(14)20/h6-7,9-11H,4-5,8H2,1-3H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 16n/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))
BDBM50272429
PNG
(2-tert-Butyl-5-(3-(3-(2-chloro-4-fluorophenyl)-1,2...)
Show SMILES CC(C)(C)c1ncc(OCCCc2nc(no2)-c2ccc(F)cc2Cl)cn1
Show InChI InChI=1S/C19H20ClFN4O2/c1-19(2,3)18-22-10-13(11-23-18)26-8-4-5-16-24-17(25-27-16)14-7-6-12(21)9-15(14)20/h6-7,9-11H,4-5,8H2,1-3H3
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PC sid
UniChem
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n/an/an/an/a 540n/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))
BDBM50272429
PNG
(2-tert-Butyl-5-(3-(3-(2-chloro-4-fluorophenyl)-1,2...)
Show SMILES CC(C)(C)c1ncc(OCCCc2nc(no2)-c2ccc(F)cc2Cl)cn1
Show InChI InChI=1S/C19H20ClFN4O2/c1-19(2,3)18-22-10-13(11-23-18)26-8-4-5-16-24-17(25-27-16)14-7-6-12(21)9-15(14)20/h6-7,9-11H,4-5,8H2,1-3H3
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n/an/an/an/a 4.90n/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))
BDBM50272429
PNG
(2-tert-Butyl-5-(3-(3-(2-chloro-4-fluorophenyl)-1,2...)
Show SMILES CC(C)(C)c1ncc(OCCCc2nc(no2)-c2ccc(F)cc2Cl)cn1
Show InChI InChI=1S/C19H20ClFN4O2/c1-19(2,3)18-22-10-13(11-23-18)26-8-4-5-16-24-17(25-27-16)14-7-6-12(21)9-15(14)20/h6-7,9-11H,4-5,8H2,1-3H3
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n/an/an/an/a 24n/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))
BDBM50272429
PNG
(2-tert-Butyl-5-(3-(3-(2-chloro-4-fluorophenyl)-1,2...)
Show SMILES CC(C)(C)c1ncc(OCCCc2nc(no2)-c2ccc(F)cc2Cl)cn1
Show InChI InChI=1S/C19H20ClFN4O2/c1-19(2,3)18-22-10-13(11-23-18)26-8-4-5-16-24-17(25-27-16)14-7-6-12(21)9-15(14)20/h6-7,9-11H,4-5,8H2,1-3H3
PDB

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PC sid
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n/an/an/an/a 610n/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))
BDBM50272429
PNG
(2-tert-Butyl-5-(3-(3-(2-chloro-4-fluorophenyl)-1,2...)
Show SMILES CC(C)(C)c1ncc(OCCCc2nc(no2)-c2ccc(F)cc2Cl)cn1
Show InChI InChI=1S/C19H20ClFN4O2/c1-19(2,3)18-22-10-13(11-23-18)26-8-4-5-16-24-17(25-27-16)14-7-6-12(21)9-15(14)20/h6-7,9-11H,4-5,8H2,1-3H3
PDB

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n/an/an/an/a 1.50E+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