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BDBM50272428 6-Chloro-3-(3-(3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)propoxy)quinoline::CHEMBL498469

SMILES: Fc1ccc(-c2noc(CCCOc3cnc4ccc(Cl)cc4c3)n2)c(Cl)c1

InChI Key: InChIKey=VKLHWQFWOJTEBS-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 = 50272428   
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))
BDBM50272428
PNG
(6-Chloro-3-(3-(3-(2-chloro-4-fluorophenyl)-1,2,4-o...)
Show SMILES Fc1ccc(-c2noc(CCCOc3cnc4ccc(Cl)cc4c3)n2)c(Cl)c1
Show InChI InChI=1S/C20H14Cl2FN3O2/c21-13-3-6-18-12(8-13)9-15(11-24-18)27-7-1-2-19-25-20(26-28-19)16-5-4-14(23)10-17(16)22/h3-6,8-11H,1-2,7H2
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.10n/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))
BDBM50272428
PNG
(6-Chloro-3-(3-(3-(2-chloro-4-fluorophenyl)-1,2,4-o...)
Show SMILES Fc1ccc(-c2noc(CCCOc3cnc4ccc(Cl)cc4c3)n2)c(Cl)c1
Show InChI InChI=1S/C20H14Cl2FN3O2/c21-13-3-6-18-12(8-13)9-15(11-24-18)27-7-1-2-19-25-20(26-28-19)16-5-4-14(23)10-17(16)22/h3-6,8-11H,1-2,7H2
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n/an/an/an/a 83n/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))
BDBM50272428
PNG
(6-Chloro-3-(3-(3-(2-chloro-4-fluorophenyl)-1,2,4-o...)
Show SMILES Fc1ccc(-c2noc(CCCOc3cnc4ccc(Cl)cc4c3)n2)c(Cl)c1
Show InChI InChI=1S/C20H14Cl2FN3O2/c21-13-3-6-18-12(8-13)9-15(11-24-18)27-7-1-2-19-25-20(26-28-19)16-5-4-14(23)10-17(16)22/h3-6,8-11H,1-2,7H2
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n/an/an/an/a 7.20n/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))
BDBM50272428
PNG
(6-Chloro-3-(3-(3-(2-chloro-4-fluorophenyl)-1,2,4-o...)
Show SMILES Fc1ccc(-c2noc(CCCOc3cnc4ccc(Cl)cc4c3)n2)c(Cl)c1
Show InChI InChI=1S/C20H14Cl2FN3O2/c21-13-3-6-18-12(8-13)9-15(11-24-18)27-7-1-2-19-25-20(26-28-19)16-5-4-14(23)10-17(16)22/h3-6,8-11H,1-2,7H2
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n/an/an/an/a 3.60n/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))
BDBM50272428
PNG
(6-Chloro-3-(3-(3-(2-chloro-4-fluorophenyl)-1,2,4-o...)
Show SMILES Fc1ccc(-c2noc(CCCOc3cnc4ccc(Cl)cc4c3)n2)c(Cl)c1
Show InChI InChI=1S/C20H14Cl2FN3O2/c21-13-3-6-18-12(8-13)9-15(11-24-18)27-7-1-2-19-25-20(26-28-19)16-5-4-14(23)10-17(16)22/h3-6,8-11H,1-2,7H2
PDB

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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)


Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50272428
PNG
(6-Chloro-3-(3-(3-(2-chloro-4-fluorophenyl)-1,2,4-o...)
Show SMILES Fc1ccc(-c2noc(CCCOc3cnc4ccc(Cl)cc4c3)n2)c(Cl)c1
Show InChI InChI=1S/C20H14Cl2FN3O2/c21-13-3-6-18-12(8-13)9-15(11-24-18)27-7-1-2-19-25-20(26-28-19)16-5-4-14(23)10-17(16)22/h3-6,8-11H,1-2,7H2
PDB

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n/an/an/an/a 990n/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