BDBM7458 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one::5,7-dihydroxy-2-(4-hydroxyphenyl)-chromen-4-one::Apigenin::Apigenin (2)::Apigenin (3)::Apigenin (7)::Apigenin, 13::CHEMBL28::Naringenin, 18::US10278929, Apigenin::US11337935, Compound Apigenin::acs.jmedchem.1c00409_ST.789::cid_5280443::jm5b01461, Compound 90
SMILES c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O
InChI Key InChIKey=KZNIFHPLKGYRTM-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 170 hits for monomerid = 7458
Affinity DataIC50: 12nMAssay Description:Inhibition of AChE (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 25nMAssay Description:Inhibition of human CYP1B1 by EROD assayMore data for this Ligand-Target Pair
Affinity DataKi: 64nMAssay Description:Inhibition of CYP1B1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufinMore data for this Ligand-Target Pair
Affinity DataIC50: 130nMAssay Description:Binding affinity towards human estrogen receptor beta (ERbeta)More data for this Ligand-Target Pair
Affinity DataIC50: 140nMAssay 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
Affinity DataKd: 250nMAssay Description:Binding affinity to TTR (unknown origin) by isothermal titration calorimetric analysisMore 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: 308nMAssay 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: 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 DataKi: 390nMAssay Description:Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufinMore data for this Ligand-Target Pair
Affinity DataIC50: 427nMAssay Description:Inhibition of human CYP1A1 by EROD assayMore data for this Ligand-Target Pair
Affinity DataKi: 440nMAssay Description:Binding affinity to CK2 (unknown origin)More data for this Ligand-Target Pair
Affinity DataKi: 520nMAssay Description:Inhibition of xanthine oxidase (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 640nMAssay Description:Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometr...More data for this Ligand-Target Pair
Affinity DataIC50: 653nMAssay 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 T...More data for this Ligand-Target Pair
Affinity DataIC50: 653nMAssay 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 DataIC50: 653nMAssay 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
Affinity DataKd: 660nMAssay Description:Displacement of [3H]-estradiol (E2) from sheep uterine estrogen receptorMore data for this Ligand-Target Pair
Affinity DataIC50: 700nMAssay Description:Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometryMore data for this Ligand-Target Pair
Affinity DataIC50: 710nMAssay Description:Inhibition of human recombinant 17beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiolMore data for this Ligand-Target Pair
Affinity DataKi: 740nMAssay Description:Inhibition of CK2alpha (unknown origin)More data for this Ligand-Target Pair
Affinity DataKi: 740nM ΔG°: -8.27kcal/molepH: 7.5 T: 2°CAssay Description:In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...More data for this Ligand-Target Pair
Affinity DataIC50: 795nMAssay Description:Inhibition of human CYP1A2 by EROD assayMore data for this Ligand-Target Pair
Affinity DataIC50: 800nMAssay Description:Inhibition of rat liver CK2 phosphorylation using RRRADDSDDDDD as substrate in presence of [32p]-ATPMore data for this Ligand-Target Pair
Affinity DataIC50: 800nMAssay Description:Inhibition of GST-fused human recombinant CK2alpha expressed in Escherichia coli HMS174 (DE3)More data for this Ligand-Target Pair
Affinity DataIC50: 800nMAssay 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: 900nMAssay Description:Inhibition of human placental microsome CYP19More 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: 933nMAssay Description:Inhibition of PIM1 kinaseMore 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: 940nMpH: 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 DataIC50: 990nMAssay Description:Allosteric inhibition of PKM2 (unknown origin) assessed as oxidation of beta-NADH per minuteMore data for this Ligand-Target Pair
Affinity DataIC50: 990nMAssay Description:Inhibition of PKM2 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 990nMAssay Description:Inhibition of recombinant PKM2 (unknown origin) Asp177, Asp178, Asn75, Ile51, Gly128, Hie78, Lys367 residuesMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of aromatase expressed in human H295R 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: 1.00E+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 DataIC50: 1.12E+3nMAssay Description:Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometr...More data for this Ligand-Target Pair
Affinity DataIC50: 1.13E+3nMAssay 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 DataIC50: 1.20E+3nMAssay Description:Inhibition of aromatase (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 1.25E+3nMAssay Description:Binding affinity towards human estrogen receptor alpha(ERalpha)More data for this Ligand-Target Pair
Affinity DataIC50: 1.40E+3nMT: 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
Affinity DataIC50: 1.45E+3nMAssay Description:Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.50E+3nMAssay 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: 1.55E+3nMAssay Description:Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate additionMore data for this Ligand-Target Pair
Affinity DataIC50: 1.55E+3nMAssay Description:Inhibition of human MAO-A using kynuramine as substrate after 20 mins by fluorescence spectrophotometric analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 1.55E+3nMAssay Description:Inhibition of recombinant human MAO-A using kynuramine as substrate incubated for 20 mins by spectrophotometric methodMore data for this Ligand-Target Pair
Affinity DataIC50: 1.60E+3nMpH: 7.0 T: 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
Affinity DataIC50: 1.70E+3nMpH: 7.0 T: 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
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of Homo sapiens (human) cyclin-dependent kinase 6More data for this Ligand-Target Pair
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of MAO-A (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of human MAOAMore 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: 1.80E+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: 1.90E+3nMAssay Description:Inhibition of Homo sapiens (human) recombinant GSK3beta after 30 min by Kinase-Glo assayMore data for this Ligand-Target Pair
Activity Spreadsheet -- ITC Data from BindingDB
Found 1 hit for monomerid = 7458
ITC DataΔG°: -6.66kcal/mole −TΔS°: -5.38kcal/mole ΔH°: -1.28kcal/mole logk: 6.45E+4
pH: 7.0 T: 30.00°C
pH: 7.0 T: 30.00°C

3D Structure (crystal)