BDBM50337283 3-[N-(4-trifluoromethylphenyl)amino]benzoic acid::CHEMBL1682202::US9271961, 7

SMILES OC(=O)c1cccc(Nc2ccc(cc2)C(F)(F)F)c1

InChI Key InChIKey=MDZIRNPRVJEHHX-UHFFFAOYSA-N

Data  21 IC50

PDB links: 1 PDB ID matches this monomer.

  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 21 hits for monomerid = 50337283   

TargetAldo-keto reductase family 1 member C4(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)
Affinity DataIC50:  6.27E+4nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of COX2 expressed in baculovirus infected SF-21 cells assessed as formation of PGH2 from PGG2 using arachidonic acid as substrate preincub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member C2(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)
Affinity DataIC50:  1.50E+4nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C1(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)
Affinity DataIC50:  2.27E+4nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)
Affinity DataIC50: >5.00E+4nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetAldo-keto reductase family 1 member B10(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)
Affinity DataIC50: >5.00E+4nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)
Affinity DataIC50: >1.00E+5nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)
Affinity DataIC50: >1.00E+5nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetAldo-keto reductase family 1 member C3(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)
Affinity DataIC50:  62nMAssay Description:Inhibition of AKR1C3 by fluorimetric methodMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C2(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)
Affinity DataIC50:  1.50E+4nMAssay Description:Inhibition of AKR1C2 by fluorimetric methodMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C1(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)
Affinity DataIC50:  2.27E+4nMAssay Description:Inhibition of recombinant AKR1C1 assessed as enzyme catalyzed oxidation of S-tetralol by fluorimetric assayMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C4(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)
Affinity DataIC50:  6.27E+4nMAssay Description:Inhibition of recombinant AKR1C4 assessed as enzyme catalyzed oxidation of S-tetralol by fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of recombinant COX1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of recombinant COX2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member C1(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)
Affinity DataIC50:  2.27E+4nMAssay Description:Inhibition of recombinant AKR1C1 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assayMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C4(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)
Affinity DataIC50:  6.27E+4nMAssay Description:Inhibition of recombinant AKR1C4 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member C2(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)
Affinity DataIC50:  1.54E+4nMAssay Description:Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assayMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C3(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)
Affinity DataIC50:  60nMAssay Description:Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assayMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of recombinant AKR1B1 assessed as NADP+ dependent reduction of DL-glyceraldehyde by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B10(Homo sapiens (Human))
University Of Pennsylvania

US Patent
LigandPNGBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of recombinant AKR1B10 assessed as NADP+ dependent reduction of DL-glyceraldehyde by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member C3(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)
Affinity DataIC50:  62nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair