null
SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F
InChI Key InChIKey=JZFPYUNJRRFVQU-UHFFFAOYSA-N
PDB links: 4 PDB IDs match this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 29 hits for monomerid = 85507
Affinity DataKi: 3.61E+3nMAssay Description:Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysisChecked by AuthorMore data for this Ligand-Target Pair
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
St. Bartholomew's and the Royal London School of Medicine and Dentistry
Curated by PDSP Ki Database
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
St. Bartholomew's and the Royal London School of Medicine and Dentistry
Curated by PDSP Ki Database
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
St. Bartholomew's and the Royal London School of Medicine and Dentistry
Curated by PDSP Ki Database
Affinity DataIC50: 5.30E+4nMAssay Description:Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in bilirubin glucuronidation by LC-MS/MS methodMore data for this Ligand-Target Pair
Affinity DataIC50: 1.30E+5nMAssay 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
Affinity DataKd: 260nMAssay Description:Binding affinity to TTR (unknown origin) by isothermal titration calorimetric analysisMore data for this Ligand-Target Pair
Affinity DataEC50: 1.50E+4nMAssay Description:Agonist activity at human GPR35 expressed in HEK293T cells at 5 uM by EYPF-based beta-arrestin-2 luciferase reporter gene assayChecked by AuthorMore data for this Ligand-Target Pair
Affinity DataEC50: 1.11E+3nMAssay Description:Agonist activity at human GPR35 by DMR assayChecked by AuthorMore data for this Ligand-Target Pair
Affinity DataEC50: 3.08E+4nMAssay Description:Agonist activity at C-terminal beta-galactosidase tagged human recombinant GPR35 expressed in CHO cells after 90 mins by beta-arrestin recruitment as...Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails
Affinity DataEC50: 1.15E+3nMAssay Description:Agonist activity at GPR35 receptor in human HT-29 cells after 10 mins by dynamic mass redistribution assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.28E+3nMAssay Description:Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 minsMore data for this Ligand-Target Pair
Affinity DataEC50: 4.02E+4nMAssay Description:Agonist activity at GPR35 receptor in human U2OS cells coexpressing Gal4-VP16-TEV assessed as beta arrestin translocation after 5 hrs by beta lactmas...More data for this Ligand-Target Pair
Affinity DataIC50: 289nMAssay Description:The FP assay was then adapted for HTS and used to screen a ˜120,000 member small molecule library for compounds that displaced the FP probe from the ...More data for this Ligand-Target Pair
Affinity DataKd: 592nMAssay Description:Dissociation Constants (Kd) associated with the binding of ligands to TTR are expressed in nM. Thermodynamic Binding Parameters associated with ligan...More data for this Ligand-Target Pair
Affinity DataKd: 2.80E+4nMAssay Description:Binding affinity to human His-tagged TEAD4 YBD (217 to 434 residues) expressed in Escherichia coli BL21(DE3) after 30 mins by ITC assayMore data for this Ligand-Target Pair
Affinity DataKd: 2.80E+4nMAssay Description:Binding affinity to N-terminal His6-tagged human TEAD4 YAP binding domain (217 to 434 residues) expressed in Escherichia coli C43 (DE3) cells by ITC ...More data for this Ligand-Target Pair
Affinity DataIC50: 4.19E+4nMAssay Description:Inhibition of CPM binding to N-terminal His6-tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL cells p...More data for this Ligand-Target Pair
Affinity DataIC50: 5.90E+3nMAssay Description:Inhibition of FITC-labeled palmitate tracer binding to N-terminal His6-tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21-Co...More data for this Ligand-Target Pair
Affinity DataIC50: 289nMAssay Description:Table 3: The FP assay was then adapted for HTS and used to screen 120,000 small molecule library for compounds that displaced probe 5 from the T4 bin...More data for this Ligand-Target Pair
Affinity DataKd: 2.80E+4nMAssay Description:Binding affinity to His-tagged TEAD4 YPD domain (217 to 434 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) by isothermal titrati...More data for this Ligand-Target Pair
In DepthDetails
In DepthDetails
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in estradiol 3-glucuronidation by LC-MS/MS methodMore data for this Ligand-Target Pair
Affinity DataIC50: 3.75E+5nMpH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
Affinity DataIC50: 289nMAssay Description:The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...More data for this Ligand-Target Pair
TargetFatty-acid amide hydrolase 1 [33-574](Rattus norvegicus (Rat))
Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).
Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
Broad Institute
Curated by ChEMBL
Broad Institute
Curated by ChEMBL
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of human recombinant DHODHMore data for this Ligand-Target Pair
Activity Spreadsheet -- ITC Data from BindingDB
Found 1 hit for monomerid = 85507
ITC DataΔG°: -8.48kcal/mole −TΔS°: 9.54kcal/mole ΔH°: -18.1kcal/mole logk: 1.66E+6
pH: 7.5 T: 25.00°C
pH: 7.5 T: 25.00°C