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BDBM50272395 CHEMBL499066::N-(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)propyl)-6-(trifluoromethoxy)quinolin-3-amine

SMILES: Fc1ccc(-c2noc(CCCNc3ccc4ncc(OC(F)(F)F)cc4c3)n2)c(Cl)c1

InChI Key: InChIKey=HBTYATWGNXKNSB-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 = 50272395   
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 (CB2)


(Rattus norvegicus (Rat))
BDBM50272395
PNG
(CHEMBL499066 | N-(3-(3-(2-Chloro-4-fluorophenyl)-1...)
Show SMILES Fc1ccc(-c2noc(CCCNc3ccc4ncc(OC(F)(F)F)cc4c3)n2)c(Cl)c1
Show InChI InChI=1S/C21H15ClF4N4O2/c22-17-10-13(23)3-5-16(17)20-29-19(32-30-20)2-1-7-27-14-4-6-18-12(8-14)9-15(11-28-18)31-21(24,25)26/h3-6,8-11,27H,1-2,7H2
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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)

More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50272395
PNG
(CHEMBL499066 | N-(3-(3-(2-Chloro-4-fluorophenyl)-1...)
Show SMILES Fc1ccc(-c2noc(CCCNc3ccc4ncc(OC(F)(F)F)cc4c3)n2)c(Cl)c1
Show InChI InChI=1S/C21H15ClF4N4O2/c22-17-10-13(23)3-5-16(17)20-29-19(32-30-20)2-1-7-27-14-4-6-18-12(8-14)9-15(11-28-18)31-21(24,25)26/h3-6,8-11,27H,1-2,7H2
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 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)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50272395
PNG
(CHEMBL499066 | N-(3-(3-(2-Chloro-4-fluorophenyl)-1...)
Show SMILES Fc1ccc(-c2noc(CCCNc3ccc4ncc(OC(F)(F)F)cc4c3)n2)c(Cl)c1
Show InChI InChI=1S/C21H15ClF4N4O2/c22-17-10-13(23)3-5-16(17)20-29-19(32-30-20)2-1-7-27-14-4-6-18-12(8-14)9-15(11-28-18)31-21(24,25)26/h3-6,8-11,27H,1-2,7H2
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n/an/an/an/a 0.0150n/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)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50272395
PNG
(CHEMBL499066 | N-(3-(3-(2-Chloro-4-fluorophenyl)-1...)
Show SMILES Fc1ccc(-c2noc(CCCNc3ccc4ncc(OC(F)(F)F)cc4c3)n2)c(Cl)c1
Show InChI InChI=1S/C21H15ClF4N4O2/c22-17-10-13(23)3-5-16(17)20-29-19(32-30-20)2-1-7-27-14-4-6-18-12(8-14)9-15(11-28-18)31-21(24,25)26/h3-6,8-11,27H,1-2,7H2
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n/an/an/an/a 2.30n/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)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50272395
PNG
(CHEMBL499066 | N-(3-(3-(2-Chloro-4-fluorophenyl)-1...)
Show SMILES Fc1ccc(-c2noc(CCCNc3ccc4ncc(OC(F)(F)F)cc4c3)n2)c(Cl)c1
Show InChI InChI=1S/C21H15ClF4N4O2/c22-17-10-13(23)3-5-16(17)20-29-19(32-30-20)2-1-7-27-14-4-6-18-12(8-14)9-15(11-28-18)31-21(24,25)26/h3-6,8-11,27H,1-2,7H2
PDB

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PubMed
n/an/an/an/a 1.10E+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)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50272395
PNG
(CHEMBL499066 | N-(3-(3-(2-Chloro-4-fluorophenyl)-1...)
Show SMILES Fc1ccc(-c2noc(CCCNc3ccc4ncc(OC(F)(F)F)cc4c3)n2)c(Cl)c1
Show InChI InChI=1S/C21H15ClF4N4O2/c22-17-10-13(23)3-5-16(17)20-29-19(32-30-20)2-1-7-27-14-4-6-18-12(8-14)9-15(11-28-18)31-21(24,25)26/h3-6,8-11,27H,1-2,7H2
PDB

NCI pathway
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KEGG

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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 850n/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)

More data for this
Ligand-Target Pair