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BDBM50272346 CHEMBL499060::N-(5-tert-Butylisoxazol-3-yl)-3-(3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)propanamide

SMILES: CC(C)(C)c1cc(NC(=O)CCc2nc(no2)-c2ccc(F)cc2Cl)no1

InChI Key: InChIKey=LCXPPKCDKPVXLH-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 = 50272346   
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))
BDBM50272346
PNG
(CHEMBL499060 | N-(5-tert-Butylisoxazol-3-yl)-3-(3-...)
Show SMILES CC(C)(C)c1cc(NC(=O)CCc2nc(no2)-c2ccc(F)cc2Cl)no1
Show InChI InChI=1S/C18H18ClFN4O3/c1-18(2,3)13-9-14(23-26-13)21-15(25)6-7-16-22-17(24-27-16)11-5-4-10(20)8-12(11)19/h4-5,8-9H,6-7H2,1-3H3,(H,21,23,25)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.400n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50272346
PNG
(CHEMBL499060 | N-(5-tert-Butylisoxazol-3-yl)-3-(3-...)
Show SMILES CC(C)(C)c1cc(NC(=O)CCc2nc(no2)-c2ccc(F)cc2Cl)no1
Show InChI InChI=1S/C18H18ClFN4O3/c1-18(2,3)13-9-14(23-26-13)21-15(25)6-7-16-22-17(24-27-16)11-5-4-10(20)8-12(11)19/h4-5,8-9H,6-7H2,1-3H3,(H,21,23,25)
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PC sid
UniChem
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n/an/an/an/a 170n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272346
PNG
(CHEMBL499060 | N-(5-tert-Butylisoxazol-3-yl)-3-(3-...)
Show SMILES CC(C)(C)c1cc(NC(=O)CCc2nc(no2)-c2ccc(F)cc2Cl)no1
Show InChI InChI=1S/C18H18ClFN4O3/c1-18(2,3)13-9-14(23-26-13)21-15(25)6-7-16-22-17(24-27-16)11-5-4-10(20)8-12(11)19/h4-5,8-9H,6-7H2,1-3H3,(H,21,23,25)
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n/an/an/an/a 0.200n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272346
PNG
(CHEMBL499060 | N-(5-tert-Butylisoxazol-3-yl)-3-(3-...)
Show SMILES CC(C)(C)c1cc(NC(=O)CCc2nc(no2)-c2ccc(F)cc2Cl)no1
Show InChI InChI=1S/C18H18ClFN4O3/c1-18(2,3)13-9-14(23-26-13)21-15(25)6-7-16-22-17(24-27-16)11-5-4-10(20)8-12(11)19/h4-5,8-9H,6-7H2,1-3H3,(H,21,23,25)
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n/an/an/an/a 0.700n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50272346
PNG
(CHEMBL499060 | N-(5-tert-Butylisoxazol-3-yl)-3-(3-...)
Show SMILES CC(C)(C)c1cc(NC(=O)CCc2nc(no2)-c2ccc(F)cc2Cl)no1
Show InChI InChI=1S/C18H18ClFN4O3/c1-18(2,3)13-9-14(23-26-13)21-15(25)6-7-16-22-17(24-27-16)11-5-4-10(20)8-12(11)19/h4-5,8-9H,6-7H2,1-3H3,(H,21,23,25)
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n/an/an/an/a 1.60E+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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50272346
PNG
(CHEMBL499060 | N-(5-tert-Butylisoxazol-3-yl)-3-(3-...)
Show SMILES CC(C)(C)c1cc(NC(=O)CCc2nc(no2)-c2ccc(F)cc2Cl)no1
Show InChI InChI=1S/C18H18ClFN4O3/c1-18(2,3)13-9-14(23-26-13)21-15(25)6-7-16-22-17(24-27-16)11-5-4-10(20)8-12(11)19/h4-5,8-9H,6-7H2,1-3H3,(H,21,23,25)
PDB

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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
More data for this
Ligand-Target Pair