BDBM37038 3-[(2Z)-2-[(4-methoxyphenyl)imino]-4-[4-(morpholin-4-ylsulfonyl)phenyl]-1,3-thiazol-3(2H)-yl]propan-1-ol::3-[2-(4-methoxyphenyl)imino-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-3-yl]propan-1-ol;hydrobromide::3-[2-(4-methoxyphenyl)imino-4-(4-morpholinosulfonylphenyl)-4-thiazolin-3-yl]propan-1-ol;hydrobromide::3-[2-(4-methoxyphenyl)imino-4-[4-(4-morpholinylsulfonyl)phenyl]-3-thiazolyl]-1-propanol;hydrobromide::MLS000047967::SMR000033965::cid_6602843

SMILES COc1ccc(cc1)\N=c1/scc(-c2ccc(cc2)S(=O)(=O)N2CCOCC2)n1CCCO

InChI Key InChIKey=XXLGQGKZCGPUCJ-UHFFFAOYSA-N

Data  2 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 37038   

TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 37038BDBM37038(SMR000033965 | 3-[2-(4-methoxyphenyl)imino-4-[4-(4...)
Affinity DataIC50: 1.06E+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:
4/30/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 37038BDBM37038(SMR000033965 | 3-[2-(4-methoxyphenyl)imino-4-[4-(4...)
Affinity DataEC50:  1.32E+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
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 37038BDBM37038(SMR000033965 | 3-[2-(4-methoxyphenyl)imino-4-[4-(4...)
Affinity DataEC50:  1.32E+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
TargetSteroidogenic factor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 37038BDBM37038(SMR000033965 | 3-[2-(4-methoxyphenyl)imino-4-[4-(4...)
Affinity DataIC50: 2.19E+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:
4/30/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 37038BDBM37038(SMR000033965 | 3-[2-(4-methoxyphenyl)imino-4-[4-(4...)
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