BDBM37113 2-(2,6-diketo-1,3-dimethyl-purin-9-yl)-N-[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]acetamide::MLS000050526::N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxo-9-purinyl)acetamide::N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide::N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanamide::N-[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)acetamide::SMR000076471::cid_2954481

SMILES CCC(C)c1ccc2oc(nc2c1)-c1ccc(NC(=O)Cn2cnc3c2n(C)c(=O)n(C)c3=O)cc1

InChI Key InChIKey=NLYNSMYOEMBILH-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 = 37113   

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

Curated by PubChem BioAssay
LigandPNGBDBM37113(2-(2,6-diketo-1,3-dimethyl-purin-9-yl)-N-[4-(5-sec...)
Affinity DataEC50:  1.59E+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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37113(2-(2,6-diketo-1,3-dimethyl-purin-9-yl)-N-[4-(5-sec...)
Affinity DataEC50:  2.02E+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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37113(2-(2,6-diketo-1,3-dimethyl-purin-9-yl)-N-[4-(5-sec...)
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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay