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BDBM50272392 5-tert-Butyl-N-(3-(3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)propyl)isoxazol-3-amine::CHEMBL500670

SMILES: CC(C)(C)c1cc(NCCCc2nc(no2)-c2ccc(F)cc2Cl)no1

InChI Key: InChIKey=ZPMCQPHGBGPKNX-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 = 50272392   
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))
BDBM50272392
PNG
(5-tert-Butyl-N-(3-(3-(2-chloro-4-fluorophenyl)-1,2...)
Show SMILES CC(C)(C)c1cc(NCCCc2nc(no2)-c2ccc(F)cc2Cl)no1
Show InChI InChI=1S/C18H20ClFN4O2/c1-18(2,3)14-10-15(23-25-14)21-8-4-5-16-22-17(24-26-16)12-7-6-11(20)9-13(12)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,23)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 190n/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))
BDBM50272392
PNG
(5-tert-Butyl-N-(3-(3-(2-chloro-4-fluorophenyl)-1,2...)
Show SMILES CC(C)(C)c1cc(NCCCc2nc(no2)-c2ccc(F)cc2Cl)no1
Show InChI InChI=1S/C18H20ClFN4O2/c1-18(2,3)14-10-15(23-25-14)21-8-4-5-16-22-17(24-26-16)12-7-6-11(20)9-13(12)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,23)
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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


(Homo sapiens (Human))
BDBM50272392
PNG
(5-tert-Butyl-N-(3-(3-(2-chloro-4-fluorophenyl)-1,2...)
Show SMILES CC(C)(C)c1cc(NCCCc2nc(no2)-c2ccc(F)cc2Cl)no1
Show InChI InChI=1S/C18H20ClFN4O2/c1-18(2,3)14-10-15(23-25-14)21-8-4-5-16-22-17(24-26-16)12-7-6-11(20)9-13(12)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,23)
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n/an/an/an/a 27n/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))
BDBM50272392
PNG
(5-tert-Butyl-N-(3-(3-(2-chloro-4-fluorophenyl)-1,2...)
Show SMILES CC(C)(C)c1cc(NCCCc2nc(no2)-c2ccc(F)cc2Cl)no1
Show InChI InChI=1S/C18H20ClFN4O2/c1-18(2,3)14-10-15(23-25-14)21-8-4-5-16-22-17(24-26-16)12-7-6-11(20)9-13(12)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,23)
PDB

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n/an/an/an/a 130n/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))
BDBM50272392
PNG
(5-tert-Butyl-N-(3-(3-(2-chloro-4-fluorophenyl)-1,2...)
Show SMILES CC(C)(C)c1cc(NCCCc2nc(no2)-c2ccc(F)cc2Cl)no1
Show InChI InChI=1S/C18H20ClFN4O2/c1-18(2,3)14-10-15(23-25-14)21-8-4-5-16-22-17(24-26-16)12-7-6-11(20)9-13(12)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,23)
PDB

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n/an/an/an/a 670n/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))
BDBM50272392
PNG
(5-tert-Butyl-N-(3-(3-(2-chloro-4-fluorophenyl)-1,2...)
Show SMILES CC(C)(C)c1cc(NCCCc2nc(no2)-c2ccc(F)cc2Cl)no1
Show InChI InChI=1S/C18H20ClFN4O2/c1-18(2,3)14-10-15(23-25-14)21-8-4-5-16-22-17(24-26-16)12-7-6-11(20)9-13(12)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,23)
PDB

NCI pathway
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UniProtKB/SwissProt

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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