BDBM37062 2-[(3-ethyl-4-keto-6-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide::2-[(3-ethyl-6-methyl-4-oxidanylidene-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)ethanamide::2-[(3-ethyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide::2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide::2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide::MLS000091058::SMR000025632::cid_3241034

SMILES CCn1c(SCC(=O)Nc2nc3ccc(C)cc3s2)nc2CC(C)Sc2c1=O

InChI Key InChIKey=CIRBSGKDXMXVRN-UHFFFAOYSA-N

Data  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 3 hits for monomerid = 37062   

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

Curated by PubChem BioAssay
LigandPNGBDBM37062(MLS000091058 | 2-[(3-ethyl-6-methyl-4-oxidanyliden...)
Affinity DataEC50:  5.59E+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
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37062(MLS000091058 | 2-[(3-ethyl-6-methyl-4-oxidanyliden...)
Affinity DataEC50:  7.72E+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
LigandPNGBDBM37062(MLS000091058 | 2-[(3-ethyl-6-methyl-4-oxidanyliden...)
Affinity DataEC50: >1.00E+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