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BDBM50272345 CHEMBL499059::N-(2-tert-Butylpyrimidin-5-yl)-3-(3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)propanamide

SMILES: CC(C)(C)c1ncc(NC(=O)CCc2nc(no2)-c2ccc(F)cc2Cl)cn1

InChI Key: InChIKey=OLHXKPCTKJZNJB-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 = 50272345   
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))
BDBM50272345
PNG
(CHEMBL499059 | N-(2-tert-Butylpyrimidin-5-yl)-3-(3...)
Show SMILES CC(C)(C)c1ncc(NC(=O)CCc2nc(no2)-c2ccc(F)cc2Cl)cn1
Show InChI InChI=1S/C19H19ClFN5O2/c1-19(2,3)18-22-9-12(10-23-18)24-15(27)6-7-16-25-17(26-28-16)13-5-4-11(21)8-14(13)20/h4-5,8-10H,6-7H2,1-3H3,(H,24,27)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.30n/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))
BDBM50272345
PNG
(CHEMBL499059 | N-(2-tert-Butylpyrimidin-5-yl)-3-(3...)
Show SMILES CC(C)(C)c1ncc(NC(=O)CCc2nc(no2)-c2ccc(F)cc2Cl)cn1
Show InChI InChI=1S/C19H19ClFN5O2/c1-19(2,3)18-22-9-12(10-23-18)24-15(27)6-7-16-25-17(26-28-16)13-5-4-11(21)8-14(13)20/h4-5,8-10H,6-7H2,1-3H3,(H,24,27)
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n/an/an/an/a 570n/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))
BDBM50272345
PNG
(CHEMBL499059 | N-(2-tert-Butylpyrimidin-5-yl)-3-(3...)
Show SMILES CC(C)(C)c1ncc(NC(=O)CCc2nc(no2)-c2ccc(F)cc2Cl)cn1
Show InChI InChI=1S/C19H19ClFN5O2/c1-19(2,3)18-22-9-12(10-23-18)24-15(27)6-7-16-25-17(26-28-16)13-5-4-11(21)8-14(13)20/h4-5,8-10H,6-7H2,1-3H3,(H,24,27)
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n/an/an/an/a 5.40n/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))
BDBM50272345
PNG
(CHEMBL499059 | N-(2-tert-Butylpyrimidin-5-yl)-3-(3...)
Show SMILES CC(C)(C)c1ncc(NC(=O)CCc2nc(no2)-c2ccc(F)cc2Cl)cn1
Show InChI InChI=1S/C19H19ClFN5O2/c1-19(2,3)18-22-9-12(10-23-18)24-15(27)6-7-16-25-17(26-28-16)13-5-4-11(21)8-14(13)20/h4-5,8-10H,6-7H2,1-3H3,(H,24,27)
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n/an/an/an/a 2.90n/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))
BDBM50272345
PNG
(CHEMBL499059 | N-(2-tert-Butylpyrimidin-5-yl)-3-(3...)
Show SMILES CC(C)(C)c1ncc(NC(=O)CCc2nc(no2)-c2ccc(F)cc2Cl)cn1
Show InChI InChI=1S/C19H19ClFN5O2/c1-19(2,3)18-22-9-12(10-23-18)24-15(27)6-7-16-25-17(26-28-16)13-5-4-11(21)8-14(13)20/h4-5,8-10H,6-7H2,1-3H3,(H,24,27)
PDB

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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))
BDBM50272345
PNG
(CHEMBL499059 | N-(2-tert-Butylpyrimidin-5-yl)-3-(3...)
Show SMILES CC(C)(C)c1ncc(NC(=O)CCc2nc(no2)-c2ccc(F)cc2Cl)cn1
Show InChI InChI=1S/C19H19ClFN5O2/c1-19(2,3)18-22-9-12(10-23-18)24-15(27)6-7-16-25-17(26-28-16)13-5-4-11(21)8-14(13)20/h4-5,8-10H,6-7H2,1-3H3,(H,24,27)
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