BDBM37161 4-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2H-1,2-oxazol-5-ylidene]cyclohexa-2,5-dien-1-one::4-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2H-1,2-oxazol-5-ylidene]cyclohexa-2,5-dien-1-one::4-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-isoxazolin-5-ylidene]cyclohexa-2,5-dien-1-one::4-[3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2H-isoxazol-5-ylidene]-1-cyclohexa-2,5-dienone::MLS000116259::SMR000093236::cid_6324551

SMILES Oc1ccc(cc1)-c1cc(no1)C(=O)N1CCc2ccccc2C1

InChI Key InChIKey=MKHOOOHNOYEQPO-UHFFFAOYSA-N

Data  1 IC50  3 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 4 hits for monomerid = 37161   

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

Curated by PubChem BioAssay
LigandPNGBDBM37161(MLS000116259 | 4-[3-(3,4-dihydro-1H-isoquinoline-2...)
Affinity DataEC50:  4.07E+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 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
LigandPNGBDBM37161(MLS000116259 | 4-[3-(3,4-dihydro-1H-isoquinoline-2...)
Affinity DataEC50:  5.24E+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 Depth
Date in BDB:
4/29/2011
Entry Details
PCBioAssay
TargetMitochondrial import inner membrane translocase subunit TIM10(Baker's yeast)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM37161(MLS000116259 | 4-[3-(3,4-dihydro-1H-isoquinoline-2...)
Affinity DataIC50: 1.71E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37161(MLS000116259 | 4-[3-(3,4-dihydro-1H-isoquinoline-2...)
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 Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay