BDBM67838 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide::2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide::2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-N-(3-fluoro-4-methyl-phenyl)acetamide::2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-N-(3-fluoro-4-methylphenyl)acetamide::MLS000520733::SMR000131143::cid_4640649

SMILES Cc1ccc(NC(=O)CSc2nc3ccccc3c3nc(CCc4c(C)n[nH]c4C)nn23)cc1F

InChI Key InChIKey=QAJFPPXXVZWNQN-UHFFFAOYSA-N

Data  5 IC50

  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 4 hits for monomerid = 67838   

TargetIsoform 2 of Nuclear receptor corepressor 2 (TRAC-1)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 67838BDBM67838(2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2...)
Affinity DataIC50: 356nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetPhotoreceptor-specific nuclear receptor(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 67838BDBM67838(2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2...)
Affinity DataIC50: 474nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 67838BDBM67838(2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2...)
Affinity DataIC50: 1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 67838BDBM67838(2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2...)
Affinity DataIC50: 1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay