BDBM34490 MLS000050059::N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide::N-[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]-1H-1,2,4-triazole-3-carboxamide::N-[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide::SMR000077076::cid_2957275

SMILES CCC(C)c1ccc2oc(nc2c1)-c1ccc(NC(=O)c2nnc[nH]2)cc1

InChI Key InChIKey=MZIHNHKTUXWZIF-UHFFFAOYSA-N

Data  1 IC50  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 34490   

TargetGag-Pol polyprotein(Human immunodeficiency virus type 1 group M subtyp...)
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM34490(MLS000050059 | N-[4-(5-butan-2-yl-1,3-benzoxazol-2...)
Affinity DataIC50:  6.07E+3nMpH: 8.0 T: 2°CAssay Description:A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM34490(MLS000050059 | N-[4-(5-butan-2-yl-1,3-benzoxazol-2...)
Affinity DataEC50:  1.27E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM34490(MLS000050059 | N-[4-(5-butan-2-yl-1,3-benzoxazol-2...)
Affinity DataEC50: >1.00E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM34490(MLS000050059 | N-[4-(5-butan-2-yl-1,3-benzoxazol-2...)
Affinity DataEC50: >9.51E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM34490(MLS000050059 | N-[4-(5-butan-2-yl-1,3-benzoxazol-2...)
Affinity DataEC50:  1.93E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Networ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay