BDBM37252 (E)-[1-[4-(2-fluorobenzyl)oxyphenyl]-2,5-dimethyl-pyrrol-3-yl]methylene-(1,2,4-triazol-4-yl)amine::1-[1-[4-[(2-fluorophenyl)methoxy]phenyl]-2,5-dimethyl-3-pyrrolyl]-N-(1,2,4-triazol-4-yl)methanimine::1-[1-[4-[(2-fluorophenyl)methoxy]phenyl]-2,5-dimethyl-pyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine::1-[1-[4-[(2-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine::MLS000112180::SMR000108096::[1-[4-(2-fluorobenzyl)oxyphenyl]-2,5-dimethyl-pyrrol-3-yl]methylene-(1,2,4-triazol-4-yl)amine::cid_1324435

SMILES Cc1cc(C=Nn2cnnc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1

InChI Key InChIKey=NTVWKXIFLUEAAW-UHFFFAOYSA-N

Data  10 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 37252   

TargetSphingosine 1-phosphate receptor 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37252(MLS000112180 | 1-[1-[4-[(2-fluorophenyl)methoxy]ph...)
Affinity DataIC50: 1.82E+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
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37252(MLS000112180 | 1-[1-[4-[(2-fluorophenyl)methoxy]ph...)
Affinity DataEC50:  803nMAssay 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
LigandPNGBDBM37252(MLS000112180 | 1-[1-[4-[(2-fluorophenyl)methoxy]ph...)
Affinity DataEC50:  7.37E+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
LigandPNGBDBM37252(MLS000112180 | 1-[1-[4-[(2-fluorophenyl)methoxy]ph...)
Affinity DataEC50:  1.08E+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
TargetSteroidogenic factor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37252(MLS000112180 | 1-[1-[4-[(2-fluorophenyl)methoxy]ph...)
Affinity DataIC50: 3.67E+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
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37252(MLS000112180 | 1-[1-[4-[(2-fluorophenyl)methoxy]ph...)
Affinity DataIC50: 7.10E+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 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
LigandPNGBDBM37252(MLS000112180 | 1-[1-[4-[(2-fluorophenyl)methoxy]ph...)
Affinity DataIC50: 7.58E+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
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37252(MLS000112180 | 1-[1-[4-[(2-fluorophenyl)methoxy]ph...)
Affinity DataIC50: 1.59E+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
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM37252(MLS000112180 | 1-[1-[4-[(2-fluorophenyl)methoxy]ph...)
Affinity DataIC50: 4.78E+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 Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM37252(MLS000112180 | 1-[1-[4-[(2-fluorophenyl)methoxy]ph...)
Affinity DataIC50: 3.52E+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 Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM37252(MLS000112180 | 1-[1-[4-[(2-fluorophenyl)methoxy]ph...)
Affinity DataIC50: 4.78E+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 Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetZinc finger protein GLI1(Mouse)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM37252(MLS000112180 | 1-[1-[4-[(2-fluorophenyl)methoxy]ph...)
Affinity DataIC50: 4.28E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay
TargetProtein Wnt-3a(Mouse)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM37252(MLS000112180 | 1-[1-[4-[(2-fluorophenyl)methoxy]ph...)
Affinity DataIC50: 6.57E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2013
Entry Details
PCBioAssay