null

SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(o1)S(=O)(=O)Cc1ccccc1

InChI Key InChIKey=SZGZLAHRMIFTES-SFHVURJKSA-N

  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 7 hits for monomerid = 36955   

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

Curated by PubChem BioAssay
LigandPNGBDBM36955(MLS000083777 | N-[(1S)-1-(5-benzylsulfonyl-1,3,4-o...)copy SMILEScopy InChI
Affinity DataEC50:  5.33E+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
BindingDB Entry DOI: 10.7270/Q2ZC817PPCBioAssay
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36955(MLS000083777 | N-[(1S)-1-(5-benzylsulfonyl-1,3,4-o...)copy SMILEScopy InChI
Affinity DataEC50:  1.51E+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
BindingDB Entry DOI: 10.7270/Q25X2795PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36955(MLS000083777 | N-[(1S)-1-(5-benzylsulfonyl-1,3,4-o...)copy SMILEScopy InChI
Affinity DataEC50:  4.10E+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
BindingDB Entry DOI: 10.7270/Q2251GJ9PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36955(MLS000083777 | N-[(1S)-1-(5-benzylsulfonyl-1,3,4-o...)copy SMILEScopy InChI
Affinity DataIC50: 5.55E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q28C9TQNPCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36955(MLS000083777 | N-[(1S)-1-(5-benzylsulfonyl-1,3,4-o...)copy SMILEScopy InChI
Affinity DataIC50: 5.55E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PC30VZPCBioAssay
TargetX-box-binding protein 1(Homo sapiens (Human))
Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36955(MLS000083777 | N-[(1S)-1-(5-benzylsulfonyl-1,3,4-o...)copy SMILEScopy InChI
Affinity DataIC50: 8.45E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2NK3CGBPCBioAssay
TargetCathepsin G(Homo sapiens (Human))
PCMD

Curated by PubChem BioAssay
LigandPNGBDBM36955(MLS000083777 | N-[(1S)-1-(5-benzylsulfonyl-1,3,4-o...)copy SMILEScopy InChI
Affinity DataIC50: 1.95E+3nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QF8R8BPCBioAssay