BDBM50240510 CHEMBL898::DIFLUNISAL

SMILES OC(=O)c1cc(ccc1O)-c1ccc(F)cc1F

InChI Key InChIKey=HUPFGZXOMWLGNK-UHFFFAOYSA-N

Data  8 KI  10 IC50  9 Kd  4 EC50

PDB links: 9 PDB IDs match this monomer.

  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 31 hits for monomerid = 50240510   

Target2-amino-3-carboxymuconate-6-semialdehyde decarboxylase(Homo sapiens (Human))
University Of Texas At San Antonio

Curated by ChEMBL
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataKi:  2.56E+3nMAssay Description:Competitive inhibition of human ACMSD using ACMS substrate by spectrometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S And The Royal London School Of Medicine And Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataKi:  8.20E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCarbonic anhydrase 1(Homo sapiens (Human))
Ataturk University

Curated by ChEMBL
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataKi:  8.45E+3nMAssay Description:Inhibition of human carbonic anhydrase 1 esterase activity by noncompetitive Lineweaver-Burk plotMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Ataturk University

Curated by ChEMBL
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataKi:  9.37E+3nMAssay Description:Inhibition of human carbonic anhydrase 2 esterase activity by non-competitive Lineweaver-Burk plotMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
St. Bartholomew'S And The Royal London School Of Medicine And Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S And The Royal London School Of Medicine And Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDihydrofolate reductase(Homo sapiens (Human))
University Of Tennessee

Curated by ChEMBL
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataKi:  3.40E+4nMAssay Description:Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlbumin(Homo sapiens (Human))
Molecular Discovery

Curated by ChEMBL
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataKi:  5.88E+4nMAssay Description:Binding affinity towards human serum albuminMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Ataturk University

Curated by ChEMBL
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataIC50:  2.70E+3nMAssay Description:Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 6(Homo sapiens (Human))
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataIC50:  850nMAssay Description:TP_TRANSPORTER: inhibition of Adefovir uptake in OAT1-expressing CHO cellsMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetAlbumin(Homo sapiens (Human))
Molecular Discovery

Curated by ChEMBL
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataKd:  1.23E+3nMAssay Description:Binding affinity to human serum albumin by PAMPA methodMore data for this Ligand-Target Pair
TargetAlbumin(Homo sapiens (Human))
Molecular Discovery

Curated by ChEMBL
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataKd:  3.00E+3nMAssay Description:Binding affinity to human serum albuminMore data for this Ligand-Target Pair
TargetTransthyretin(Homo sapiens (Human))
University Of The Pacific

Curated by ChEMBL
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataKd:  407nMAssay Description:Binding affinity to transthyretin (unknown origin) by ITC methodMore data for this Ligand-Target Pair
TargetTransthyretin(Homo sapiens (Human))
University Of The Pacific

Curated by ChEMBL
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataKd:  2.70E+3nMAssay Description:Stabilization of wild type human transthyretin expressed in Escherichia coli BL21(DE3) Star assessed as dissociation constant for TTR-amyloid beta (1...More data for this Ligand-Target Pair
TargetTransthyretin(Homo sapiens (Human))
University Of The Pacific

Curated by ChEMBL
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of ANS binding to TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as BC50 for ANS binding to TTR at 5 uM in presen...More data for this Ligand-Target Pair
TargetTransthyretin(Homo sapiens (Human))
University Of The Pacific

Curated by ChEMBL
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of ANS binding to TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as BC50 for ANS binding to TTR at 5 uM in presen...More data for this Ligand-Target Pair
Target2-amino-3-carboxymuconate-6-semialdehyde decarboxylase(Homo sapiens (Human))
University Of Texas At San Antonio

Curated by ChEMBL
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataIC50:  1.35E+4nMAssay Description:Inhibition of human ACMSD using ACMS substrate by spectrometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransthyretin(Homo sapiens (Human))
University Of The Pacific

Curated by ChEMBL
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataKd:  75nMAssay Description:Binding affinity to wild type TTR (unknown origin) expressed in Escherichia coli BL21/DE3 by Circular dichroism spectroscopyMore data for this Ligand-Target Pair
TargetTransthyretin(Homo sapiens (Human))
University Of The Pacific

Curated by ChEMBL
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataKd:  5.60E+3nMAssay Description:Stabilization of TTR V30M mutant (unknown origin) assessed as inhibition of protein-mediated amyloid fibril formationMore data for this Ligand-Target Pair
TargetTransthyretin(Homo sapiens (Human))
University Of The Pacific

Curated by ChEMBL
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataIC50:  6.60E+3nMAssay Description:Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by ...More data for this Ligand-Target Pair
TargetHigh mobility group protein B1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataKd:  1.60E+6nMAssay Description:Binding affinity to full-length N-terminal 6His-tagged HMGB1 (unknown origin) by NMR spectraMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransthyretin(Homo sapiens (Human))
University Of The Pacific

Curated by ChEMBL
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataIC50:  3.50E+3nMAssay Description:Stabilization of TTR V3OM mutant (unknown origin) assessed as acid-mediated protein aggregation inhibition ratio incubated for 1 week by absorbance m...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Ataturk University

Curated by ChEMBL
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataIC50:  3.38E+3nMAssay Description:Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransthyretin(Homo sapiens (Human))
University Of The Pacific

Curated by ChEMBL
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataKd:  580nMAssay Description:Binding affinity to TTR (unknown origin) by isothermal titration calorimetric analysisMore data for this Ligand-Target Pair
TargetTransthyretin(Homo sapiens (Human))
University Of The Pacific

Curated by ChEMBL
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataIC50:  2.50E+4nMAssay Description:Binding affinity to TTR in human plasma assessed as protein stabilization preincubated for 1 hr followed by urea-mediated denaturation by Western blo...More data for this Ligand-Target Pair
TargetTransthyretin(Homo sapiens (Human))
University Of The Pacific

Curated by ChEMBL
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataEC50:  5.60E+3nMAssay Description:Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assayMore data for this Ligand-Target Pair
TargetSolute carrier family 12 member 5(Homo sapiens (Human))
Vanderbilt Screening Center For Gpcrs, Ion Channels And Transporters

Curated by PubChem BioAssay
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataEC50:  3.25E+3nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSolute carrier family 12 member 5(Homo sapiens (Human))
Vanderbilt Screening Center For Gpcrs, Ion Channels And Transporters

Curated by PubChem BioAssay
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataEC50:  1.06E+4nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTransthyretin(Homo sapiens (Human))
University Of The Pacific

Curated by ChEMBL
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataKd:  1.30E+3nMAssay Description:Binding affinity to TTR V30M mutant (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
TargetGenome polyprotein(West Nile virus)
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataIC50: >5.00E+4nMAssay Description:The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSolute carrier family 12 member 5(Homo sapiens (Human))
Vanderbilt Screening Center For Gpcrs, Ion Channels And Transporters

Curated by PubChem BioAssay
LigandPNGBDBM50240510(CHEMBL898 | DIFLUNISAL)
Affinity DataEC50:  2.57E+4nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay