BDBM84221 MLS000594071::N-(4-{4-methyl-5-[(4-methylbenzyl)thio]-4H-1,2,4-triazol-3-yl}phenyl)acetamide::N-[4-[4-methyl-5-[(4-methylbenzyl)thio]-1,2,4-triazol-3-yl]phenyl]acetamide::N-[4-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]phenyl]acetamide::N-[4-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]phenyl]ethanamide::N-[4-[4-methyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-3-yl]phenyl]acetamide::SMR000143130::cid_1236197

SMILES CC(=O)Nc1ccc(cc1)-c1nnc(SCc2ccc(C)cc2)n1C

InChI Key InChIKey=FWMRRJKPROZDGA-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 84221   

TargetBeta-2 adrenergic receptor(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 84221BDBM84221(SMR000143130 | MLS000594071 | N-[4-[4-methyl-5-[(4...)
Affinity DataEC50:  3.60E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/6/2012
Entry Details
PCBioAssay