Found 27 hits for monomerid = 50240510 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB
UniProtKB/SwissProt
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Patents
| | 2.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
| DrugBank Article PubMed
| 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Bartholomew's and the Royal London School of Medicine and Dentistry
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 96: 7563-8 (1999)
Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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Patents
| Article PubMed
| 8.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 1 esterase activity by noncompetitive Lineweaver-Burk plot |
Bioorg Med Chem 16: 9101-5 (2008)
Article DOI: 10.1016/j.bmc.2008.09.028 BindingDB Entry DOI: 10.7270/Q2GB23W2 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB MMDB
Reactome pathway KEGG
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Patents
| Article PubMed
| 9.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 2 esterase activity by non-competitive Lineweaver-Burk plot |
Bioorg Med Chem 16: 9101-5 (2008)
Article DOI: 10.1016/j.bmc.2008.09.028 BindingDB Entry DOI: 10.7270/Q2GB23W2 |
More data for this Ligand-Target Pair | |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB
UniProtKB/SwissProt
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| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Bartholomew's and the Royal London School of Medicine and Dentistry
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 96: 7563-8 (1999)
Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4 |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
| DrugBank Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Bartholomew's and the Royal London School of Medicine and Dentistry
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 96: 7563-8 (1999)
Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4 |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
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Patents
| PubMed
| 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee
Curated by ChEMBL
| Assay Description Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysis |
J Med Chem 63: 8314-8324 (2020)
|
More data for this Ligand-Target Pair | |
Serum albumin
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
| DrugBank MMDB PDB Article PubMed
| 5.89E+13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Molecular Discovery Ltd.
Curated by ChEMBL
| Assay Description Binding affinity towards human serum albumin |
J Med Chem 48: 2469-79 (2005)
Article DOI: 10.1021/jm049227l BindingDB Entry DOI: 10.7270/Q2125WDN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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Patents
| Article PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometry |
Bioorg Med Chem 16: 9101-5 (2008)
Article DOI: 10.1016/j.bmc.2008.09.028 BindingDB Entry DOI: 10.7270/Q2GB23W2 |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 6
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
| DrugBank PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of Adefovir uptake in OAT1-expressing CHO cells |
J Pharmacol Exp Ther 295: 10-5 (2000)
BindingDB Entry DOI: 10.7270/Q2TB186W |
More data for this Ligand-Target Pair | |
Serum albumin
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description Binding affinity to human serum albumin by PAMPA method |
J Med Chem 51: 2009-17 (2008)
Article DOI: 10.1021/jm7012826 BindingDB Entry DOI: 10.7270/Q28053XB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serum albumin
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Binding affinity to human serum albumin |
J Med Chem 60: 7434-7446 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00787 BindingDB Entry DOI: 10.7270/Q29S1T5W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transthyretin
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB
KEGG
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Patents
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 407 | n/a | n/a | n/a | n/a | n/a |
University of the Pacific
Curated by ChEMBL
| Assay Description Binding affinity to transthyretin (unknown origin) by ITC method |
J Med Chem 61: 7862-7876 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00817 BindingDB Entry DOI: 10.7270/Q2KP84SS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transthyretin
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB
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Patents
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a |
Institut de Qu??mica Avan£ada de Catalunya (I.Q.A.C.-C.S.I.C.)
Curated by ChEMBL
| Assay Description Stabilization of wild type human transthyretin expressed in Escherichia coli BL21(DE3) Star assessed as dissociation constant for TTR-amyloid beta (1... |
J Med Chem 63: 3205-3214 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01970 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transthyretin
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB
KEGG
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Patents
| DrugBank PDB Article PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toyama
Curated by ChEMBL
| Assay 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... |
J Med Chem 62: 2076-2082 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01700 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transthyretin
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB
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Patents
| DrugBank PDB Article PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toyama
Curated by ChEMBL
| Assay 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... |
J Med Chem 62: 2076-2082 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01700 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB
UniProtKB/SwissProt
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Patents
| | n/a | n/a | 1.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Transthyretin
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB
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Patents
| DrugBank PDB
| n/a | n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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Patents
| Article PubMed
| n/a | n/a | 3.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry |
Bioorg Med Chem 16: 9101-5 (2008)
Article DOI: 10.1016/j.bmc.2008.09.028 BindingDB Entry DOI: 10.7270/Q2GB23W2 |
More data for this Ligand-Target Pair | |
Transthyretin
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB
KEGG
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Patents
| DrugBank PDB PubMed
| n/a | n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a |
Ume£ University
Curated by ChEMBL
| Assay Description Binding affinity to TTR (unknown origin) by isothermal titration calorimetric analysis |
J Med Chem 58: 6507-15 (2015)
BindingDB Entry DOI: 10.7270/Q2P84DP1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transthyretin
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB
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Patents
| DrugBank PDB PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ume£ University
Curated by ChEMBL
| Assay Description Binding affinity to TTR in human plasma assessed as protein stabilization preincubated for 1 hr followed by urea-mediated denaturation by Western blo... |
J Med Chem 58: 6507-15 (2015)
BindingDB Entry DOI: 10.7270/Q2P84DP1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transthyretin
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB
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Patents
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a |
University of Toyama
Curated by ChEMBL
| Assay Description Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay |
J Med Chem 57: 8928-35 (2014)
Article DOI: 10.1021/jm500997m BindingDB Entry DOI: 10.7270/Q2KD20HH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
electroneutral potassium-chloride cotransporter KCC2
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
| PCBioAssay
| n/a | n/a | n/a | n/a | 3.25E+3 | n/a | n/a | n/a | n/a |
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters
Curated by PubChem BioAssay
| Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr... |
PubChem Bioassay (2009)
BindingDB Entry DOI: 10.7270/Q2M32T6M |
More data for this Ligand-Target Pair | |
electroneutral potassium-chloride cotransporter KCC2
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
| PCBioAssay
| n/a | n/a | n/a | n/a | 1.06E+4 | n/a | n/a | n/a | n/a |
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters
Curated by PubChem BioAssay
| Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr... |
PubChem Bioassay (2009)
BindingDB Entry DOI: 10.7270/Q2Q52N1X |
More data for this Ligand-Target Pair | |
Transthyretin
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
| DrugBank PDB
| n/a | n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | 3D Structure (crystal) |
Genome polyprotein
(West Nile virus) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
| PCBioAssay
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center
Curated by PubChem BioAssay
| Assay 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... |
PubChem Bioassay (2007)
BindingDB Entry DOI: 10.7270/Q2222S6W |
More data for this Ligand-Target Pair | |
electroneutral potassium-chloride cotransporter KCC2
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
| PCBioAssay
| n/a | n/a | n/a | n/a | 2.57E+4 | n/a | n/a | n/a | n/a |
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters
Curated by PubChem BioAssay
| Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr... |
PubChem Bioassay (2009)
BindingDB Entry DOI: 10.7270/Q2TX3CSC |
More data for this Ligand-Target Pair | |