null
SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1
InChI Key InChIKey=VGEREEWJJVICBM-UHFFFAOYSA-N
PDB links: 3 PDB IDs match this monomer. 8 PDB IDs contain this monomer as substructures. 8 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 15 hits for monomerid = 23446
TargetSolute carrier family 28 member 3(Homo sapiens (Human))
University of Tennessee Health Sciences Center
Curated by ChEMBL
University of Tennessee Health Sciences Center
Curated by ChEMBL
Affinity DataKi: 3.23E+4nMAssay Description:Binding affinity to human recombinant CNT3 expressed in pig PK15NTD cells assessed as [3H]uridine uptake by beta-scintillation counterMore data for this Ligand-Target Pair
TargetSodium/glucose cotransporter 1(Homo sapiens (Human))
Max-Planck-Institut f£r molekulare Physiologie
Curated by ChEMBL
Max-Planck-Institut f£r molekulare Physiologie
Curated by ChEMBL
Affinity DataKi: 8.60E+4nMAssay Description:Binding affinity against Sodium/glucose co-transporter of isolated renal brush border membranes.More data for this Ligand-Target Pair
TargetSolute carrier family 2, facilitated glucose transporter member 1(Homo sapiens (Human))
Universit£ di Pisa
Curated by ChEMBL
Universit£ di Pisa
Curated by ChEMBL
Affinity DataIC50: 2.14E+4nMAssay Description:Inhibition of GLUT1 in human H1299 cells assessed as inhibition of 2-deoxy-D-[3H]-glucose uptake incubated for 15 mins prior to 2-deoxy-D-[3H]-glucos...More data for this Ligand-Target Pair
TargetMonocarboxylate transporter 2(Rattus norvegicus)
Physiologisch-chemisches Institut der Eberhard-Karls-Universit£t T£bingen
Curated by ChEMBL
Physiologisch-chemisches Institut der Eberhard-Karls-Universit£t T£bingen
Curated by ChEMBL
Affinity DataIC50: 1.40E+4nMAssay Description:TP_TRANSPORTER: inhibition of lactate uptake in Xenopus laevis oocytesMore data for this Ligand-Target Pair
TargetMonocarboxylate transporter 1(Rattus norvegicus (Rat))
Physiologisch-chemisches Institut der Eberhard-Karls-Universit£t T£bingen
Curated by ChEMBL
Physiologisch-chemisches Institut der Eberhard-Karls-Universit£t T£bingen
Curated by ChEMBL
Affinity DataIC50: 2.80E+4nMAssay Description:TP_TRANSPORTER: inhibition of lactate uptake in Xenopus laevis oocytesMore data for this Ligand-Target Pair
Affinity DataIC50: 1.83E+4nMAssay Description:Inhibition of human SGLT2 expressed in HEK293 cells assessed as reduction in 2-deoxyglucose uptake pretreated for 10 mins followed by 2-deoxyglucose ...More data for this Ligand-Target Pair
TargetSodium/glucose cotransporter 1(Homo sapiens (Human))
Max-Planck-Institut f£r molekulare Physiologie
Curated by ChEMBL
Max-Planck-Institut f£r molekulare Physiologie
Curated by ChEMBL
Affinity DataIC50: 1.24E+4nMAssay Description:Inhibition of human SGLT1 expressed in HEK293 cells assessed as reduction in 2-deoxyglucose uptake pretreated for 10 mins followed by 2-deoxyglucose ...More data for this Ligand-Target Pair
TargetPancreatic triacylglycerol lipase(Sus scrofa (Pig))
Department of Food Science and Biotechnology, Daegu University, Gyeongsan 38453, Republic of Korea.
Curated by ChEMBL
Department of Food Science and Biotechnology, Daegu University, Gyeongsan 38453, Republic of Korea.
Curated by ChEMBL
Affinity DataIC50: 5.04E+4nMAssay Description:Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate pretreated for 15 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Affinity DataIC50: 3.00E+5nMAssay Description:Inhibition of alpha-chymotrypsin in bovine pancreas using SPpNA as substrate pretreated with enzyme for 30 mins followed by substrate addition and me...More data for this Ligand-Target Pair
Affinity DataIC50: 4.96E+5nMAssay Description:Inhibition of Enterobacter cloacae beta-lactamase incubated for 10 mins followed by nitrocefin substrate challenge and measured for 5 mins by spectro...More data for this Ligand-Target Pair
TargetDNA topoisomerase 2-alpha(Homo sapiens (Human))
University of Illinois at Chicago
Curated by ChEMBL
University of Illinois at Chicago
Curated by ChEMBL
Affinity DataIC50: 1.67E+5nMAssay Description:Inhibition of human DNA topoisomerase 2 catalytic domain-mediated knotted bacteriophage P4Virl dell0 DNA unknotting by agarose gel electrophoresisMore data for this Ligand-Target Pair
Affinity DataIC50: 4.10E+4nMAssay Description:TP_TRANSPORTER: inhibition of L-Lactate uptake (L-Lactate:30mM) in Xenopus laevis oocytesMore data for this Ligand-Target Pair
Affinity DataKd: 8.10E+3nMAssay Description:Stabilization of TTR V30M mutant (unknown origin) assessed as inhibition of protein-mediated amyloid fibril formationMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase 33(Homo sapiens (Human))
Broad Institute
Curated by PubChem BioAssay
Broad Institute
Curated by PubChem BioAssay
Affinity DataEC50: 2.14E+4nMAssay Description:Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...More data for this Ligand-Target Pair
Affinity DataIC50: 2.50E+7nMAssay Description:Inhibition of EGFRMore data for this Ligand-Target Pair
Activity Spreadsheet -- ITC Data from BindingDB
Found 6 hits for monomerid = 23446
ITC DataΔG°: -10.2kcal/mole −TΔS°: 4.89kcal/mole ΔH°: -15.1kcal/mole logk: 2.10E+7
pH: 7.0 T: 30.00°C
pH: 7.0 T: 30.00°C
ITC DataΔG°: -8.29kcal/mole −TΔS°: 8.70kcal/mole ΔH°: -17.0kcal/mole logk: 9.75E+5
pH: 7.0 T: 30.00°C
pH: 7.0 T: 30.00°C
ITC DataΔG°: -6.99kcal/mole −TΔS°: 14.6kcal/mole ΔH°: -21.6kcal/mole logk: 1.09E+5
pH: 7.0 T: 30.00°C
pH: 7.0 T: 30.00°C
ITC DataΔG°: -8.25kcal/mole −TΔS°: 7.43kcal/mole ΔH°: -15.7kcal/mole logk: 9.00E+5
pH: 7.0 T: 30.00°C
pH: 7.0 T: 30.00°C
ITC DataΔG°: -8.74kcal/mole −TΔS°: 10.4kcal/mole ΔH°: -19.2kcal/mole logk: 2.05E+6
pH: 7.0 T: 30.00°C
pH: 7.0 T: 30.00°C
ITC DataΔG°: -6.87kcal/mole −TΔS°: -4.88kcal/mole ΔH°: -1.99kcal/mole logk: 9.14E+4
pH: 7.0 T: 30.00°C
pH: 7.0 T: 30.00°C