BDBM36974 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone::2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]ethanone::2-[(3,5-dimethylisoxazol-4-yl)methylthio]-1-[4-(2,3-dimethylphenyl)piperazino]ethanone::MLS000053719::SMR000064422::US10544110, Compound 1::cid_2537506

SMILES Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C

InChI Key InChIKey=UOYXGXJBTVISCR-UHFFFAOYSA-N

Data  5 IC50  5 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 10 hits for monomerid = 36974   

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

Curated by PubChem BioAssay
LigandPNGBDBM36974(cid_2537506 | 2-[(3,5-dimethyl-4-isoxazolyl)methyl...)
Affinity DataEC50:  4.41E+3nMAssay 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(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36974(cid_2537506 | 2-[(3,5-dimethyl-4-isoxazolyl)methyl...)
Affinity DataEC50: >3.00E+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(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36974(cid_2537506 | 2-[(3,5-dimethyl-4-isoxazolyl)methyl...)
Affinity DataEC50:  4.52E+3nMAssay 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
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36974(cid_2537506 | 2-[(3,5-dimethyl-4-isoxazolyl)methyl...)
Affinity DataIC50: 1.12E+3nMAssay 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
TargetSteroidogenic factor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36974(cid_2537506 | 2-[(3,5-dimethyl-4-isoxazolyl)methyl...)
Affinity DataIC50: 876nMAssay 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
TargetSignal transducer and activator of transcription 3 [702-738,740-752](Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36974(cid_2537506 | 2-[(3,5-dimethyl-4-isoxazolyl)methyl...)
Affinity DataIC50: 4.56E+3nMAssay Description:Source (MLPCN 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
TargetSignal transducer and activator of transcription 1-alpha/beta(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36974(cid_2537506 | 2-[(3,5-dimethyl-4-isoxazolyl)methyl...)
Affinity DataIC50: 5.57E+4nMAssay Description:Source (MLPCN 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
TargetHeat shock factor protein 1(Mouse)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM36974(cid_2537506 | 2-[(3,5-dimethyl-4-isoxazolyl)methyl...)
Affinity DataEC50:  2.43E+5nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetAndrogen receptor(Human)
University of Pittsburgh

US Patent
LigandPNGBDBM36974(cid_2537506 | 2-[(3,5-dimethyl-4-isoxazolyl)methyl...)
Affinity DataIC50: 7.30E+3nMAssay Description:The biological activity of analogs 5-16, 18, 20, 26, JJ-450, and the resolved enantiomers JJ-450A and J-450B was determined and compared to HTS hit 1...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetAndrogen receptor(Human)
University of Pittsburgh

US Patent
LigandPNGBDBM36974(cid_2537506 | 2-[(3,5-dimethyl-4-isoxazolyl)methyl...)
Affinity DataEC50:  7.30E+3nMAssay Description:Antagonist activity at androgen receptor in human C4-2-PSA-rl cells incubated for 24 hrs in presence of androgen R1881 by dual-glo luciferase reporte...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed