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BDBM50265687 CHEMBL496781::N-(2-ethylphenyl)-2-(5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthio)acetamide

SMILES: CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccccc1

InChI Key: InChIKey=BRVINROMIDSTSF-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50265687   
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


(Homo sapiens (Human))
BDBM50265687
PNG
(CHEMBL496781 | N-(2-ethylphenyl)-2-(5-(2-methoxyph...)
Show SMILES CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccccc1
Show InChI InChI=1S/C25H24N4O2S/c1-3-18-11-7-9-15-21(18)26-23(30)17-32-25-28-27-24(20-14-8-10-16-22(20)31-2)29(25)19-12-5-4-6-13-19/h4-16H,3,17H2,1-2H3,(H,26,30)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.10n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor


J Med Chem 52: 369-78 (2009)


Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50265687
PNG
(CHEMBL496781 | N-(2-ethylphenyl)-2-(5-(2-methoxyph...)
Show SMILES CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccccc1
Show InChI InChI=1S/C25H24N4O2S/c1-3-18-11-7-9-15-21(18)26-23(30)17-32-25-28-27-24(20-14-8-10-16-22(20)31-2)29(25)19-12-5-4-6-13-19/h4-16H,3,17H2,1-2H3,(H,26,30)
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>50n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor


J Med Chem 52: 369-78 (2009)


Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2
More data for this
Ligand-Target Pair