BDBM37098 5-(4-hydroxyphenyl)-N-[2-(trifluoromethyl)phenyl]isoxazole-3-carboxamide::5-(4-ketocyclohexa-2,5-dien-1-ylidene)-N-[2-(trifluoromethyl)phenyl]-3-isoxazoline-3-carboxamide::5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-N-[2-(trifluoromethyl)phenyl]-2H-1,2-oxazole-3-carboxamide::5-(4-oxo-1-cyclohexa-2,5-dienylidene)-N-[2-(trifluoromethyl)phenyl]-2H-isoxazole-3-carboxamide::5-(4-oxocyclohexa-2,5-dien-1-ylidene)-N-[2-(trifluoromethyl)phenyl]-2H-1,2-oxazole-3-carboxamide::MLS000087038::SMR000023261::cid_5771507

SMILES Oc1ccc(cc1)-c1cc(no1)C(=O)Nc1ccccc1C(F)(F)F

InChI Key InChIKey=JZRYBXQMOMQNJF-UHFFFAOYSA-N

Data  3 IC50  3 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 6 hits for monomerid = 37098   

TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37098(5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-N-...)
Affinity DataEC50:  778nMAssay 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 Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37098(5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-N-...)
Affinity DataEC50:  964nMAssay 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 Depth
Date in BDB:
4/29/2011
Entry Details
PCBioAssay
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM37098(5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-N-...)
Affinity DataIC50: 2.26E+3nMAssay 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
LigandPNGBDBM37098(5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-N-...)
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:
7/12/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM37098(5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-N-...)
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
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37098(5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-N-...)
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 Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay