null
SMILES Oc1cccc2ccccc12
InChI Key InChIKey=KJCVRFUGPWSIIH-UHFFFAOYSA-N
PDB links: 7 PDB IDs match this monomer. 34 PDB IDs contain this monomer as substructures. 34 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 12 hits for monomerid = 23450
Affinity DataKd: 4.30E+5nMAssay Description:The thermal-shift denaturation assay was performed on an iCycler iQ Real Time Detection System (BioRad) in 96-well iCycler iQ PCR plates sealed with ...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1/2(Bos taurus)
E. I. du Pont de Nemours and Company, Inc.
Curated by ChEMBL
E. I. du Pont de Nemours and Company, Inc.
Curated by ChEMBL
Affinity DataIC50: 2.00E+3nMAssay Description:In vitro inhibition of Prostaglandin G/H synthase in BSV cell line.More data for this Ligand-Target Pair
Affinity DataIC50: 1.30E+5nMAssay Description:Inhibitory concentration against human cytochrome P450 2A6More data for this Ligand-Target Pair
Affinity DataIC50: 1.30E+5nMAssay Description:Inhibition of human CYP2A6More data for this Ligand-Target Pair
Affinity DataIC50: 2.80E+5nMAssay 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: 3.60E+3nMAssay Description:Inhibition of 5-lipoxygenase in Rattus norvegicus Rat basophil leukemia cells (RBL) cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant MK2 expressed in Escherichia coli BL21(DE3) after 60 minsMore data for this Ligand-Target Pair
Affinity DataIC50: 3.60E+3nMAssay Description:Ability to inhibit 5-lipoxygenase by using a crude preparation of the cytosolic enzyme from the rat basophilic leukemia (RBL-1) cell lineMore data for this Ligand-Target Pair
Affinity DataIC50: 1.40E+5nMAssay Description:Inhibitory concentration against mouse cytochrome P450 2A5More data for this Ligand-Target Pair
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
Affinity DataIC50: 1.40E+5nMAssay Description:Inhibition of mouse CYP2A5More data for this Ligand-Target Pair
Affinity DataIC50: 2.40E+5nMAssay 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
Activity Spreadsheet -- ITC Data from BindingDB
Found 2 hits for monomerid = 23450
ITC DataΔG°: -5.30kcal/mole −TΔS°: 5.59kcal/mole ΔH°: -10.9kcal/mole logk: 6.73E+3
pH: 7.0 T: 30.00°C
pH: 7.0 T: 30.00°C
ITC DataΔG°: -7.63kcal/mole logk: 4.00E+5
pH: 7.0 T: 25.00°C
pH: 7.0 T: 25.00°C