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.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50337283   

TargetAldo-keto reductase family 1 member C1(Human)
Perelman School of Medicine University of Pennsylvania

Curated by ChEMBL

LigandBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)Copy SMILESCopy InChI

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

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TargetProstaglandin G/H synthase 2(Human)
University of Pennsylvania

Curated by ChEMBL

LigandBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)Copy SMILESCopy InChI

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

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TargetAldo-keto reductase family 1 member B10(Human)
University of Pennsylvania

Curated by ChEMBL

LigandBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)Copy SMILESCopy InChI

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

Target InfoPDB
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TargetAldo-keto reductase family 1 member B1(Human)
University of Pennsylvania

Curated by ChEMBL

LigandBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProt
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Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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TargetAldo-keto reductase family 1 member C3(Human)
University of Pennsylvania

Curated by ChEMBL

LigandBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
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Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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TargetAldo-keto reductase family 1 member C2(Human)
University of Pennsylvania

Curated by ChEMBL

LigandBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
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TargetAldo-keto reductase family 1 member C4(Human)
University of Pennsylvania

Curated by ChEMBL

LigandBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProt
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Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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TargetAldo-keto reductase family 1 member C1(Human)
Perelman School of Medicine University of Pennsylvania

Curated by ChEMBL

LigandBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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TargetProstaglandin G/H synthase 2(Human)
University of Pennsylvania

Curated by ChEMBL

LigandBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant COX2More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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TargetProstaglandin G/H synthase 1(Human)
Perelman School of Medicine University of Pennsylvania

Curated by ChEMBL

LigandBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant COX1More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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TargetAldo-keto reductase family 1 member C4(Human)
University of Pennsylvania

Curated by ChEMBL

LigandBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

In DepthDetails Article
Copy BDB DOIPubMed
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TargetAldo-keto reductase family 1 member C4(Human)
University of Pennsylvania

Curated by ChEMBL

LigandBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)Copy SMILESCopy InChI

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

Target InfoPDB
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TargetAldo-keto reductase family 1 member C2(Human)
University of Pennsylvania

Curated by ChEMBL

LigandBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)Copy SMILESCopy InChI

Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of AKR1C2 by fluorimetric methodMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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TargetAldo-keto reductase family 1 member C3(Human)
University of Pennsylvania

Curated by ChEMBL

LigandBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)Copy SMILESCopy InChI

Affinity DataIC50: 62nMAssay Description:Inhibition of AKR1C3 by fluorimetric methodMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

In DepthDetails Article
Copy BDB DOIPubMedPDB3D Structure (crystal)
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TargetProstaglandin G/H synthase 2(Human)
University of Pennsylvania

Curated by ChEMBL

LigandBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

In DepthDetails
Copy BDB DOIUS Patent

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TargetProstaglandin G/H synthase 1(Human)
Perelman School of Medicine University of Pennsylvania

Curated by ChEMBL

LigandBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

In DepthDetails
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TargetAldo-keto reductase family 1 member B10(Human)
University of Pennsylvania

Curated by ChEMBL

LigandBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProt
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Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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TargetAldo-keto reductase family 1 member B1(Human)
University of Pennsylvania

Curated by ChEMBL

LigandBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

In DepthDetails
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TargetAldo-keto reductase family 1 member C1(Human)
Perelman School of Medicine University of Pennsylvania

Curated by ChEMBL

LigandBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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PDB3D Structure (crystal)
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TargetAldo-keto reductase family 1 member C2(Human)
University of Pennsylvania

Curated by ChEMBL

LigandBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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PDB3D Structure (crystal)
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TargetAldo-keto reductase family 1 member C3(Human)
University of Pennsylvania

Curated by ChEMBL

LigandBDBM50337283(3-[N-(4-trifluoromethylphenyl)amino]benzoic acid |...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

In DepthDetails
Copy BDB DOIUS Patent
PDB3D Structure (crystal)
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