BDBM36900 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-8-fluoro-5H-pyrimido[5,4-b]indole::4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-fluoranyl-5H-pyrimido[5,4-b]indole::4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-fluoro-5H-pyrimido[5,4-b]indole::8-fluoro-4-(4-piperonylpiperazino)-5H-pyrimid[5,4-b]indole::MLS000078398::SMR000040683::cid_659623

SMILES Fc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(Cc2ccc3OCOc3c2)CC1

InChI Key InChIKey=HBVIUQRSDMYKQV-UHFFFAOYSA-N

Data  6 IC50  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 9 hits for monomerid = 36900   

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

Curated by PubChem BioAssay
LigandPNGBDBM36900(4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-8...)
Affinity DataEC50:  2.00E+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
LigandPNGBDBM36900(4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-8...)
Affinity DataEC50:  8.16E+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
LigandPNGBDBM36900(4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-8...)
Affinity DataEC50:  1.96E+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
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36900(4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-8...)
Affinity DataIC50: 2.16E+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:
4/30/2011
Entry Details
PCBioAssay
TargetSteroidogenic factor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36900(4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-8...)
Affinity DataIC50: 3.38E+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:
4/30/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36900(4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-8...)
Affinity DataIC50: 3.91E+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:
5/12/2011
Entry Details
PCBioAssay
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36900(4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-8...)
Affinity DataIC50: 4.24E+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:
4/30/2011
Entry Details
PCBioAssay
TargetSteroidogenic factor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36900(4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-8...)
Affinity DataIC50: 7.80E+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:
4/30/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36900(4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-8...)
Affinity DataIC50: 810nMAssay 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:
5/28/2011
Entry Details
PCBioAssay