BDBM30996 (2,2,4-trimethyl-1H-quinolin-6-yl) furan-2-carboxylate::2-furancarboxylic acid (2,2,4-trimethyl-1H-quinolin-6-yl) ester::MLS000106934::SMR000111309::cid_698314::furan-2-carboxylic acid (2,2,4-trimethyl-1H-quinolin-6-yl) ester

SMILES CC1=CC(C)(C)Nc2ccc(OC(=O)c3ccco3)cc12

InChI Key InChIKey=UPZZXFBOEFCBDA-UHFFFAOYSA-N

Data  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 4 hits for monomerid = 30996   

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

Curated by PubChem BioAssay
LigandPNGBDBM30996(cid_698314 | SMR000111309 | (2,2,4-trimethyl-1H-qu...)
Affinity DataEC50: >3.00E+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
LigandPNGBDBM30996(cid_698314 | SMR000111309 | (2,2,4-trimethyl-1H-qu...)
Affinity DataEC50:  1.33E+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:
4/29/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30996(cid_698314 | SMR000111309 | (2,2,4-trimethyl-1H-qu...)
Affinity DataEC50:  1.80E+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
Target5-hydroxytryptamine receptor 1A(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30996(cid_698314 | SMR000111309 | (2,2,4-trimethyl-1H-qu...)
Affinity DataEC50:  3.97E+4nMpH: 7.4 T: 2°CAssay Description:A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2009
Entry Details
PCBioAssay