BDBM7459 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one::2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one::CHEMBL151::Luteolin (27)::Luteolin (4)::acs.jmedchem.1c00409_ST.600::cid_5280445::luteolin::med.21724, Compound 3
SMILES c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
InChI Key InChIKey=IQPNAANSBPBGFQ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 179 hits for monomerid = 7459
Affinity DataIC50: 0.613nMAssay Description:Inhibition of tyrosinase (unknown origin) using DOPA as substrate incubated for 15 min by spectrophotometer assayMore data for this Ligand-Target Pair
Affinity DataKi: 4.70nM ΔG°: -11.4kcal/moleT: 2°CAssay Description:Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...More data for this Ligand-Target Pair
Affinity DataKi: 56nMAssay Description:Inhibition of CYP1B1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufinMore data for this Ligand-Target Pair
Affinity DataKi: 60nM ΔG°: -9.85kcal/moleT: 2°CAssay Description:Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration ass...More data for this Ligand-Target Pair
Affinity DataKd: 70nMAssay Description:Binding affinity to TTR (unknown origin) by isothermal titration calorimetric analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 79nMAssay Description:Inhibition of human CYP1B1 by EROD assayMore data for this Ligand-Target Pair
Affinity DataIC50: 120nMAssay Description:Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 4 secs followed by substrate addition and measured after 30 mins ...More data for this Ligand-Target Pair
TargetMAP kinase-interacting serine/threonine-protein kinase 1(Human)
The Chinese University of Hong Kong (Shenzhen)
Curated by ChEMBL
The Chinese University of Hong Kong (Shenzhen)
Curated by ChEMBL
Affinity DataIC50: 179nMAssay Description:Inhibition of GST-tagged recombinant human full length MNK1 expressed in insect cellsMore data for this Ligand-Target Pair
Affinity DataKi: 240nMAssay Description:Binding affinity to CK2 (unknown origin)More data for this Ligand-Target Pair
Affinity DataKi: 293nMAssay Description:Inhibition of human recombinant carbonic anhydrase 4More data for this Ligand-Target Pair
Affinity DataIC50: 360nMAssay Description:Inhibition of recombinant human CYP1B1 expressed in supersomes using ethoxyresorufin as substrate preincubated for 5 mins followed by substrate addit...More data for this Ligand-Target Pair
Affinity DataIC50: 450nMAssay Description:Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...More data for this Ligand-Target Pair
Affinity DataIC50: 500nMAssay Description:Inhibition of human recombinant CK2 expressed in Escherichia coli using RRRADDSDDDDD as substrate after 10 mins in presence of [gamma-32P]ATPMore data for this Ligand-Target Pair
Affinity DataIC50: 500nMAssay Description:Inhibition of rat liver CK2 phosphorylation using RRRADDSDDDDD as substrate in presence of [32p]-ATPMore data for this Ligand-Target Pair
Affinity DataIC50: 520nMAssay Description:Inhibition of BACE1 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 550nMAssay Description:Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometryMore data for this Ligand-Target Pair
TargetMAP kinase-interacting serine/threonine-protein kinase 2(Human)
The Chinese University of Hong Kong (Shenzhen)
Curated by ChEMBL
The Chinese University of Hong Kong (Shenzhen)
Curated by ChEMBL
Affinity DataIC50: 579nMAssay Description:Inhibition of N-terminal GST-tagged recombinant human full length MNK2 expressed in baculovirus expression system incubated for 1 hr by Kinase Tracer...More data for this Ligand-Target Pair
Affinity DataIC50: 600nMAssay Description:Inhibition of human recombinant aldose reductaseMore data for this Ligand-Target Pair
Affinity DataIC50: 660nMAssay Description:Inhibition of rat liver DNA topoisomerase 1 preincubated before addition of DNAMore data for this Ligand-Target Pair
Affinity DataKi: 740nMpH: 7.4Assay Description:Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...More data for this Ligand-Target Pair
Affinity DataIC50: 754nMAssay Description:Inhibition of bovine lens aldose reductase using DL-glyceraldehyde as substrate assessed as NADPH oxidation measured for 10 mins by spectrophotometri...More data for this Ligand-Target Pair
Affinity DataIC50: 800nMT: 2°CAssay Description:Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...More data for this Ligand-Target Pair
Target3-oxoacyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
University of Zurich
Curated by ChEMBL
University of Zurich
Curated by ChEMBL
Affinity DataKi: 800nMAssay Description:Inhibition of FabG in presence of NADPHMore data for this Ligand-Target Pair
Affinity DataIC50: 830nMAssay Description:Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
Affinity DataIC50: 850nMAssay Description:Inhibition of NOX4 expressed in HEK293 FS cells assessed as H2O2 production by H2O2/Tyr/LPO assayMore data for this Ligand-Target Pair
Affinity DataKi: 890nMAssay Description:Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufinMore data for this Ligand-Target Pair
TargetMacrophage metalloelastase(Human)
East China University of Science and Technology
Curated by ChEMBL
East China University of Science and Technology
Curated by ChEMBL
Affinity DataIC50: 980nMAssay Description:Inhibition of human recombinant MMP12 catalytic domain incubated for 20 mins by fluorimetric assayMore data for this Ligand-Target Pair
TargetPC4 and SFRS1-interacting protein(Human)
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
Affinity DataIC50: 1.06E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...More data for this Ligand-Target Pair
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of human 6XHis-tagged TNKS2 ART domain (946 to 1161 amino acid residues) expressed in Escherichia coli Rosetta2 (DE3) by fluorescence assa...More data for this Ligand-Target Pair
Affinity DataIC50: 1.25E+3nMAssay Description:Inhibition of human CYP1A1 by EROD assayMore data for this Ligand-Target Pair
TargetInositol hexakisphosphate kinase 2(Human)
National Institute of Environmental Health Sciences
Curated by ChEMBL
National Institute of Environmental Health Sciences
Curated by ChEMBL
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
TargetProteasome subunit beta type-5(Human)
Institute of Agricultural and Food Biotechnology
Curated by ChEMBL
Institute of Agricultural and Food Biotechnology
Curated by ChEMBL
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of chymotrypsin-like activity of human 26S proteasome in human Jurkat cells assessed as decrease in AMC hydrolysis using Z-Gly-Gly-Leu-AMC...More data for this Ligand-Target Pair
Affinity DataEC50: 1.45E+3nMAssay Description:Agonist activity at rat DAT expressed in CHO cellsMore data for this Ligand-Target Pair
TargetProteasome subunit beta type-5(Human)
Institute of Agricultural and Food Biotechnology
Curated by ChEMBL
Institute of Agricultural and Food Biotechnology
Curated by ChEMBL
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of chymotrypsin-like activity of purified human 20S proteasome expressed in human Jurkat cells assessed as decrease in AMC hydrolysis usin...More data for this Ligand-Target Pair
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of Homo sapiens (human) recombinant GSK3beta after 30 min by Kinase-Glo assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.54E+3nMAssay Description:Inhibition of rat lens aldose reductaseMore data for this Ligand-Target Pair
Affinity DataKi: 1.55E+3nMAssay Description:Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain cortex membrane in presence of 0.5 mM GTPMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase pim-1(Human)
Loma Linda University School of Medicine
Curated by ChEMBL
Loma Linda University School of Medicine
Curated by ChEMBL
Affinity DataIC50: 1.59E+3nMAssay Description:Inhibition of PIM1 kinaseMore data for this Ligand-Target Pair
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of 5-LOX-mediated LTB4 production in human neutrophils using arachidonic acid as substrate preincubated for 10 mins followed by substrate ...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase pim-1(Human)
Loma Linda University School of Medicine
Curated by ChEMBL
Loma Linda University School of Medicine
Curated by ChEMBL
Affinity DataIC50: 1.60E+3nMpH: 7.0 T: 2°CAssay Description:The 96-well flat-bottomed plates were coated with recombinant GST-BAD. After the plates were blocked, the reaction buffer containing test compound an...More data for this Ligand-Target Pair
Affinity DataKi: 1.66E+3nMAssay Description:Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain cortex membraneMore data for this Ligand-Target Pair
Target3-oxoacyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
University of Zurich
Curated by ChEMBL
University of Zurich
Curated by ChEMBL
Affinity DataKi: 1.80E+3nMAssay Description:Inhibition of FabG in presence of acetoacetyl-CoAMore data for this Ligand-Target Pair
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of human SIRT6 using H3K9 myristoyl-peptide substrateMore data for this Ligand-Target Pair
Affinity DataKi: 1.90E+3nMAssay Description:Inhibition of bovine xanthine oxidaseMore data for this Ligand-Target Pair
TargetEnoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
Csir-Central Drug Research Institute
Curated by ChEMBL
Csir-Central Drug Research Institute
Curated by ChEMBL
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of Plasmodium falciparum FabIMore data for this Ligand-Target Pair
TargetEnoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
Csir-Central Drug Research Institute
Curated by ChEMBL
Csir-Central Drug Research Institute
Curated by ChEMBL
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of FabIMore data for this Ligand-Target Pair
TargetEnoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
Csir-Central Drug Research Institute
Curated by ChEMBL
Csir-Central Drug Research Institute
Curated by ChEMBL
Affinity DataKi: 2.20E+3nMpH: 7.4Assay Description:Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Mouse)
Institute of Chinese Materia Medica
Curated by ChEMBL
Institute of Chinese Materia Medica
Curated by ChEMBL
Affinity DataEC50: 2.30E+3nMAssay Description:Agonist activity at mouse PPARgamma expressed in HEK293 cells co-expressing with Gal4 reporter vector after 24 hrs by dual-luciferase reporter assayMore data for this Ligand-Target Pair
Activity Spreadsheet -- ITC Data from BindingDB
Found 1 hit for monomerid = 7459
ITC DataΔG°: -7.12kcal/mole −TΔS°: -4.08kcal/mole ΔH°: -3.05kcal/mole logk: 1.38E+5
pH: 7.0 T: 30.00°C
pH: 7.0 T: 30.00°C

3D Structure (crystal)