Found 57 hits for monomerid = 17636 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 |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| 140 | -9.50 | n/a | n/a | n/a | n/a | n/a | 7.0 | 30 |
The University of Birmingham
| Assay Description A fluorescence assay was used to determine the kinetic constants for the oxidation of 3alpha-androstanediol. The fluorescence emission of NADPH at 45... |
Cancer Res 64: 1802-10 (2004)
Article DOI: 10.1158/0008-5472.can-03-2847 BindingDB Entry DOI: 10.7270/Q2JS9NPR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
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| 3.10E+3 | -7.64 | n/a | n/a | n/a | n/a | n/a | 7.0 | 30 |
The University of Birmingham
| Assay Description Enzyme activity was measured in the reductive direction against varying concentrations of androsterone. Initial velocities were measured by observing... |
Cancer Res 64: 1802-10 (2004)
Article DOI: 10.1158/0008-5472.can-03-2847 BindingDB Entry DOI: 10.7270/Q2JS9NPR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Fatty acid-binding protein, intestinal
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB
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| 1.55E+4 | -12.5 | n/a | n/a | n/a | n/a | n/a | n/a | 293.15 |
Monash University
| Assay Description Briefly, steady-state fluorescence spectra of ANS binding was monitored by measuring the increase in fluorescence signal between 450?550 nm following... |
ACS Chem Biol 9: 2526-34 (2014)
Article DOI: 10.1021/cb5005178 BindingDB Entry DOI: 10.7270/Q2348J4C |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB US Patent
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
The Trustees of the University of Pennsylvania
US Patent
| Assay Description Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ... |
US Patent US9271961 (2016)
BindingDB Entry DOI: 10.7270/Q27W6B22 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
The Trustees of the University of Pennsylvania
US Patent
| Assay Description Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ... |
US Patent US9271961 (2016)
BindingDB Entry DOI: 10.7270/Q27W6B22 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C1
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB US Patent
| n/a | n/a | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
The Trustees of the University of Pennsylvania
US Patent
| Assay Description Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ... |
US Patent US9271961 (2016)
BindingDB Entry DOI: 10.7270/Q27W6B22 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB
UniProtKB/SwissProt
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| US Patent
| n/a | n/a | 2.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Trustees of the University of Pennsylvania
US Patent
| Assay Description Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ... |
US Patent US9271961 (2016)
BindingDB Entry DOI: 10.7270/Q27W6B22 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB US Patent
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
The Trustees of the University of Pennsylvania
US Patent
| Assay Description Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ... |
US Patent US9271961 (2016)
BindingDB Entry DOI: 10.7270/Q27W6B22 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transcription factor SOX-18
(Mus musculus (Mouse)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB
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| Article PubMed
| n/a | n/a | 2.20E+5 | n/a | n/a | n/a | n/a | 7.5 | 37 |
The University of Queensland
| Assay Description The DNA-binding competition assay was performed in 25 μL, in black 384-well plates, using either 30 mM HEPES (N-2-Hydroxyethylpiperazine-N'-2-Etha... |
Cell Chem Biol 24: 346-359 (2017)
Article DOI: 10.1016/j.chembiol.2017.01.003 BindingDB Entry DOI: 10.7270/Q2MP5252 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB
UniProtKB/SwissProt
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| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibition of rabbit lens aldose reductase. |
J Med Chem 29: 2347-51 (1986)
BindingDB Entry DOI: 10.7270/Q23R0RWW |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
KEGG
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| PDB Article PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of AKR1C3 by fluorimetric method |
Bioorg Med Chem Lett 21: 1464-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.010 BindingDB Entry DOI: 10.7270/Q24J0FD4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB
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| Article PubMed
| n/a | n/a | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description Inhibition of human AR by fluorescence assay |
J Med Chem 58: 2047-67 (2015)
Article DOI: 10.1021/jm500907a BindingDB Entry DOI: 10.7270/Q2D79D4X |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B10
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB
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| PDB Article PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description Inhibition of wild-type N-terminal 6-His tagged AKR1B10 (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as pyridine-3-aldehyde redu... |
J Med Chem 58: 2047-67 (2015)
Article DOI: 10.1021/jm500907a BindingDB Entry DOI: 10.7270/Q2D79D4X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acid-sensing ion channel 5
(Rattus norvegicus) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | n/a | 2.60E+6 | n/a | n/a | n/a | n/a |
RWTH Aachen University
Curated by ChEMBL
| Assay Description Binding affinity to rat bile acid-sensitive ion channel expressed in xenopus oocytes |
Bioorg Med Chem Lett 25: 4437-40 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.012 BindingDB Entry DOI: 10.7270/Q2M04786 |
More data for this Ligand-Target Pair | |
Potassium channel subfamily K member 2
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB
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| Article PubMed
| n/a | n/a | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a |
Universit£ Clermont Auvergne
Curated by ChEMBL
| Assay Description Activation of TREK1 (unknown origin) expressed in COS7 cells assessed as increase in whole cell currents at +50 mV relative to control |
J Med Chem 59: 5149-57 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00671 BindingDB Entry DOI: 10.7270/Q2319XSS |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
Reactome pathway KEGG
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| PDB Article PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of AKR1C2 by fluorimetric method |
Bioorg Med Chem Lett 21: 1464-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.010 BindingDB Entry DOI: 10.7270/Q24J0FD4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| PDB Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of British Columbia
Curated by ChEMBL
| Assay Description Transcriptional activity at human androgen receptor BF3 site stably transfected in eGFP-expressing human LNCAP cells after 5 days by fluorometric ana... |
J Med Chem 54: 8563-73 (2011)
Article DOI: 10.1021/jm201098n BindingDB Entry DOI: 10.7270/Q2QC03X8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C4
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB
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| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C4 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1... |
J Med Chem 55: 7746-58 (2012)
Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
Reactome pathway KEGG
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| PDB Article PubMed
| n/a | n/a | 3.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C2 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1... |
J Med Chem 55: 7746-58 (2012)
Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C1
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
Reactome pathway KEGG
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| PDB Article PubMed
| n/a | n/a | 2.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C1 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1... |
J Med Chem 55: 7746-58 (2012)
Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
KEGG
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| PDB Article PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1... |
J Med Chem 55: 7746-58 (2012)
Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Potassium channel subfamily K member 18
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | n/a | 4.74E+5 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Activation of human TRESK channel expressed in HEK293 cells assessed as induction of channel current by whole cell patch clamp assay |
Bioorg Med Chem Lett 26: 4919-4924 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.020 BindingDB Entry DOI: 10.7270/Q2T72KDN |
More data for this Ligand-Target Pair | |
Myeloperoxidase
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
KEGG
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| Article PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description Inhibition of chlorinating activity of recombinant myeloperoxidase by taurine assay |
Bioorg Med Chem 16: 1702-20 (2008)
Article DOI: 10.1016/j.bmc.2007.11.025 BindingDB Entry DOI: 10.7270/Q2HH6KWD |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C4
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of AKR1C4 (unknown origin) |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of COX2 (unknown origin) |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transient receptor potential cation channel subfamily M member 2
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human TRPM2 expressed in HEK293T cells assessed as blocked of ADPR-activated current by whole cell patch clamp electrophysiology |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02129 BindingDB Entry DOI: 10.7270/Q2HT2T5G |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of AKR1C3 (unknown origin) |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 3.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of AKR1C2 (unknown origin) |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C1
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 2.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of AKR1C1 (unknown origin) |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transthyretin
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB
KEGG
UniProtKB/SwissProt
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Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | 4.4 | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human transthyretin fibril formation at pH 4.4 after 72 hrs |
Proc Natl Acad Sci USA 104: 4808-13 (2007)
Article DOI: 10.1073/pnas.0700316104 BindingDB Entry DOI: 10.7270/Q2B27W52 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB
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| Article PubMed
| n/a | n/a | 2.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Perelman School of Medicine University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant COX1 |
Bioorg Med Chem Lett 22: 3492-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.085 BindingDB Entry DOI: 10.7270/Q24M95JQ |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Perelman School of Medicine University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant COX2 |
Bioorg Med Chem Lett 22: 3492-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.085 BindingDB Entry DOI: 10.7270/Q24M95JQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
KEGG
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| PDB Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of COX2 expressed in baculovirus infected SF-21 cells assessed as formation of PGH2 from PGG2 using arachidonic acid as substrate preincub... |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Potassium channel subfamily K member 18
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Activation of human TRESK channel relative to control |
Bioorg Med Chem Lett 26: 4919-4924 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.020 BindingDB Entry DOI: 10.7270/Q2T72KDN |
More data for this Ligand-Target Pair | |
Cytochrome c oxidase subunit 2
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Thromboxane (TXA2) receptor antagonist activity using human platelet |
Eur J Med Chem 139: 936-946 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.046 BindingDB Entry DOI: 10.7270/Q2Q52S4X |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
KEGG
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| PDB Article PubMed
| n/a | n/a | 8.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Thromboxane (TXA2) receptor antagonist activity using human platelet |
Eur J Med Chem 139: 936-946 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.046 BindingDB Entry DOI: 10.7270/Q2Q52S4X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB
KEGG
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| Article PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Thromboxane (TXA2) receptor antagonist activity using human platelet |
Eur J Med Chem 139: 936-946 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.046 BindingDB Entry DOI: 10.7270/Q2Q52S4X |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Antagonistic activity against TP-receptor by inhibition of U 46619-induced contraction of isolated guinea pig trachea |
Eur J Med Chem 139: 936-946 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.046 BindingDB Entry DOI: 10.7270/Q2Q52S4X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
KEGG
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| PDB Article PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of type-1 human steroid 5-alpha-reductase |
Eur J Med Chem 139: 936-946 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.046 BindingDB Entry DOI: 10.7270/Q2Q52S4X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
KEGG
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| PDB Article PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat... |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| PDB Article PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat... |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B10
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His6-tagged AKR1B10 expressed in Escherichia coli BL21 (DE3) pLysS cells by pyridine-3-aldehyde reductase ... |
J Nat Prod 78: 2666-74 (2015)
Article DOI: 10.1021/acs.jnatprod.5b00616 BindingDB Entry DOI: 10.7270/Q2XG9V5T |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B10
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 9.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His6-tagged AKR1B10 expressed in Escherichia coli BL21 cells using all-trans-retinal as substrate incubate... |
J Nat Prod 78: 2666-74 (2015)
Article DOI: 10.1021/acs.jnatprod.5b00616 BindingDB Entry DOI: 10.7270/Q2XG9V5T |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB
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| Article PubMed
| n/a | n/a | n/a | n/a | 6.92E+3 | n/a | n/a | n/a | n/a |
University of Hull
Curated by ChEMBL
| Assay Description Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay |
Eur J Med Chem 170: 141-156 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.074 BindingDB Entry DOI: 10.7270/Q2F76GWS |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a |
University of Hull
Curated by ChEMBL
| Assay Description Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay |
Eur J Med Chem 170: 141-156 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.074 BindingDB Entry DOI: 10.7270/Q2F76GWS |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a |
University of Hull
Curated by ChEMBL
| Assay Description Agonist activity at human TRPA1 in WI38 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay |
Eur J Med Chem 170: 141-156 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.074 BindingDB Entry DOI: 10.7270/Q2F76GWS |
More data for this Ligand-Target Pair | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 7.30E+4 | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Materia Medica
Curated by ChEMBL
| Assay Description Binding affinity to N-terminal His6 tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli C43 (DE3) cells incubated for 30 mins by i... |
Eur J Med Chem 184: (2019)
Article DOI: 10.1016/j.ejmech.2019.111767 BindingDB Entry DOI: 10.7270/Q2VX0KWC |
More data for this Ligand-Target Pair | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 8.40E+4 | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Materia Medica
Curated by ChEMBL
| Assay Description Binding affinity to N-terminal His6 tagged human TEAD4-YBD (217 to 434 residues) expressed in Escherichia coli C43 (DE3) cells by SPR analysis |
Eur J Med Chem 184: (2019)
Article DOI: 10.1016/j.ejmech.2019.111767 BindingDB Entry DOI: 10.7270/Q2VX0KWC |
More data for this Ligand-Target Pair | |