null
SMILES: Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
InChI Key: InChIKey=FTVWIRXFELQLPI-ZDUSSCGKSA-N
PDB links: 22 PDB IDs match this monomer. 4 PDB IDs contain this monomer as substructures. 4 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 4.30 | -11.4 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Aristotle University of Thessaloniki Curated by ChEMBL | Assay 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... | Bioorg Med Chem 23: 7219-25 (2015) Article DOI: 10.1016/j.bmc.2015.10.018 BindingDB Entry DOI: 10.7270/Q2862J84 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 44 | -10.0 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Aristotle University of Thessaloniki Curated by ChEMBL | Assay 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... | Bioorg Med Chem 23: 7219-25 (2015) Article DOI: 10.1016/j.bmc.2015.10.018 BindingDB Entry DOI: 10.7270/Q2862J84 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 80 | -9.67 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Aristotle University of Thessaloniki Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa... | Bioorg Med Chem 23: 7219-25 (2015) Article DOI: 10.1016/j.bmc.2015.10.018 BindingDB Entry DOI: 10.7270/Q2862J84 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 1 (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Hong Kong Polytechnic University Curated by ChEMBL | Assay Description Inhibition of MRP1 transfected in human HeLa cells assessed as inhibition of [3H]LTC4 transport by rapid filtration assay | J Med Chem 52: 5311-22 (2009) Article DOI: 10.1021/jm900194w BindingDB Entry DOI: 10.7270/Q25B02H5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonyl reductase [NADPH] 1 (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 3.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Tübingen Curated by ChEMBL | Assay Description Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate | Bioorg Med Chem 17: 530-6 (2009) Article DOI: 10.1016/j.bmc.2008.11.076 BindingDB Entry DOI: 10.7270/Q2SJ1KFH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >1.00E+4 | >-6.82 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Aristotle University of Thessaloniki Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa... | Bioorg Med Chem 23: 7219-25 (2015) Article DOI: 10.1016/j.bmc.2015.10.018 BindingDB Entry DOI: 10.7270/Q2862J84 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >1.00E+4 | >-6.82 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Aristotle University of Thessaloniki Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa... | Bioorg Med Chem 23: 7219-25 (2015) Article DOI: 10.1016/j.bmc.2015.10.018 BindingDB Entry DOI: 10.7270/Q2862J84 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lactoylglutathione lyase (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 1.74E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uniroyal Chemical Co., Inc. Curated by ChEMBL | Assay Description Inhibition constant of compound against binding of Yeast Glyoxalase I | J Med Chem 31: 1396-406 (1988) BindingDB Entry DOI: 10.7270/Q2P55QQJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 1 (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 2.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of LTC4 uptake (+3mM GSH) in membrane vesicle from MRP1-expressing HeLa cells | Mol Pharmacol 59: 1171-80 (2001) BindingDB Entry DOI: 10.7270/Q2NG4RWM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aromatase (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Central University of Punjab Curated by ChEMBL | Assay Description Inhibition of aromatase (unknown origin) preincubated for 10 mins in presence of NADPH generating system followed by addition of dibenzylfluorescein ... | Eur J Med Chem 119: 141-68 (2016) Article DOI: 10.1016/j.ejmech.2016.03.087 BindingDB Entry DOI: 10.7270/Q29Z96V5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Shizuoka Curated by ChEMBL | Assay Description Inhibition of human CYP1A1 by EROD assay | Bioorg Med Chem 18: 6310-5 (2010) Article DOI: 10.1016/j.bmc.2010.07.020 BindingDB Entry DOI: 10.7270/Q2GB248D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Shizuoka Curated by ChEMBL | Assay Description Inhibition of human CYP1A2 by EROD assay | Bioorg Med Chem 18: 6310-5 (2010) Article DOI: 10.1016/j.bmc.2010.07.020 BindingDB Entry DOI: 10.7270/Q2GB248D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1B1 (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Shizuoka Curated by ChEMBL | Assay Description Inhibition of human CYP1B1 by EROD assay | Bioorg Med Chem 18: 6310-5 (2010) Article DOI: 10.1016/j.bmc.2010.07.020 BindingDB Entry DOI: 10.7270/Q2GB248D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calmodulin-1 (Human) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Aut£noma del Estado de Morelos Curated by ChEMBL | Assay Description Inhibition of human recombinant calmodulin assessed as inhibition of calmodulin-sensitive cAMP phosphodiesterase activation after 15 mins by spectrop... | Bioorg Med Chem 19: 542-6 (2011) Article DOI: 10.1016/j.bmc.2010.10.063 BindingDB Entry DOI: 10.7270/Q2KH0NM0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aromatase (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hawai'i at Hilo Curated by ChEMBL | Assay Description Inhibition of aromatase after 10 mins preincubation by plate reader relative to control | Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aromatase (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of human aromatase using dibenzylfluorescein as substrate preincubated for 30 mins measured after 2 hrs by fluorimetry | Bioorg Med Chem 20: 510-20 (2011) Article DOI: 10.1016/j.bmc.2011.09.031 BindingDB Entry DOI: 10.7270/Q2X067GF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.89E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King's College London Curated by ChEMBL | Assay Description Inhibition of human recombinant aldose reductase using D-glyceraldehyde as substrate preincubated for 10 mins before substrate addition measured for ... | Bioorg Med Chem 20: 1251-8 (2012) Article DOI: 10.1016/j.bmc.2011.12.033 BindingDB Entry DOI: 10.7270/Q2639Q5V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-dependent translocase ABCB1 (Mus musculus (Mouse)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | n/a | 2.85E+4 | n/a | n/a | n/a | n/a | n/a |
Universit£ Claude Bernard-Lyon 1 Curated by ChEMBL | Assay Description Compound was tested for the binding affinity towards recombinant NBD2 C-terminal cytotoxic nucleotide-binding domain of mouse P-Glycoprotein | Bioorg Med Chem Lett 10: 157-60 (2000) BindingDB Entry DOI: 10.7270/Q2DR2W1W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aromatase (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Bologna Curated by ChEMBL | Assay Description Inhibition of aromatase (unknown origin) using dibenzylfluorscein as substrate incubated with NADP+ for 10 mins prior to substrate addition measured ... | Eur J Med Chem 68: 412-21 (2013) Article DOI: 10.1016/j.ejmech.2013.07.052 BindingDB Entry DOI: 10.7270/Q2765GSV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aromatase (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tampa Curated by ChEMBL | Assay Description Inhibition of aromatase (unknown origin) using dibenzylfluorescein as substrate after 30 mins by fluorescence assay | J Nat Prod 76: 1966-9 (2013) Article DOI: 10.1021/np400585t BindingDB Entry DOI: 10.7270/Q2N87C7M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sex hormone-binding globulin (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 955 | n/a | n/a | n/a | n/a | n/a |
University of British Columbia Curated by ChEMBL | Assay Description Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin | J Med Chem 51: 2047-56 (2008) Article DOI: 10.1021/jm7011485 BindingDB Entry DOI: 10.7270/Q2RX9DC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sex hormone-binding globulin (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 954 | n/a | n/a | n/a | n/a | n/a |
University of British Columbia Curated by ChEMBL | Assay Description Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin | J Med Chem 51: 2047-56 (2008) Article DOI: 10.1021/jm7011485 BindingDB Entry DOI: 10.7270/Q2RX9DC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dongguk University-Seoul Curated by ChEMBL | Assay Description Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assay | Bioorg Med Chem Lett 23: 1768-70 (2013) Article DOI: 10.1016/j.bmcl.2013.01.049 BindingDB Entry DOI: 10.7270/Q2H70H54 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aromatase (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Curated by ChEMBL | Assay Description Inhibition of human placental microsome CYP19 | Bioorg Med Chem Lett 20: 3050-64 (2010) Article DOI: 10.1016/j.bmcl.2010.03.113 BindingDB Entry DOI: 10.7270/Q2CJ8FFS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Inhibition of human recombinant 17beta-HSD2 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol | J Med Chem 51: 4188-99 (2008) Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Inhibition of human recombinant 17beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol | J Med Chem 51: 4188-99 (2008) Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Xanthine dehydrogenase/oxidase (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp Curated by ChEMBL | Assay Description Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometry | J Nat Prod 61: 71-6 (1998) Article DOI: 10.1021/np970237h BindingDB Entry DOI: 10.7270/Q29C6Z93 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aromatase (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of human aromatase activity after 30 mins by fluorescence analysis | Bioorg Med Chem 20: 7030-9 (2012) Article DOI: 10.1016/j.bmc.2012.10.006 BindingDB Entry DOI: 10.7270/Q2RR20D5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.05E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Gyeongsang National University Curated by ChEMBL | Assay Description Inhibition of human erythrocyte AChE assessed as acetylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry | Bioorg Med Chem 20: 2595-602 (2012) Article DOI: 10.1016/j.bmc.2012.02.044 BindingDB Entry DOI: 10.7270/Q22808MC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxylic ester hydrolase (Equus caballus (Horse)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.49E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Gyeongsang National University Curated by ChEMBL | Assay Description Inhibition of equine BChE assessed as butyrylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry | Bioorg Med Chem 20: 2595-602 (2012) Article DOI: 10.1016/j.bmc.2012.02.044 BindingDB Entry DOI: 10.7270/Q22808MC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chonbuk National University Curated by ChEMBL | Assay Description Inhibition of PTP1B (unknown origin) using pNPP as substrate pretreated for 10 mins followed by substrate addition measured after 20 mins by spectrop... | Bioorg Med Chem Lett 27: 2274-2280 (2017) Article DOI: 10.1016/j.bmcl.2017.04.054 BindingDB Entry DOI: 10.7270/Q2ZK5K3F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.88E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University Curated by ChEMBL | Assay Description Inhibition of recombinant human MAO-B after 30 mins | J Nat Prod 79: 2538-2544 (2016) Article DOI: 10.1021/acs.jnatprod.6b00440 BindingDB Entry DOI: 10.7270/Q26W9DHJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] A (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 9.55E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University Curated by ChEMBL | Assay Description Mixed-type inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using varying levels of kynuramine as substrat... | J Nat Prod 79: 2538-2544 (2016) Article DOI: 10.1021/acs.jnatprod.6b00440 BindingDB Entry DOI: 10.7270/Q26W9DHJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel Curated by ChEMBL | Assay Description Inhibition of human 17beta-HSD2 expressed in HEK293 cell lysates incubated for 10 mins using [2,4,6,7-3H]-estradiol and NAD+ by scintillation countin... | J Nat Prod 80: 965-974 (2017) Article DOI: 10.1021/acs.jnatprod.6b00950 BindingDB Entry DOI: 10.7270/Q2XD148R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 4 (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay 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 ... | Eur J Med Chem 151: 145-157 (2018) Article DOI: 10.1016/j.ejmech.2018.03.041 BindingDB Entry DOI: 10.7270/Q2CZ39SV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase (Influenza A virus) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking Union Medical College Curated by ChEMBL | Assay Description Inhibition of Influenza A Jinan/15/90 H3N2 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | Bioorg Med Chem 16: 7141-7 (2008) Article DOI: 10.1016/j.bmc.2008.06.049 BindingDB Entry DOI: 10.7270/Q2R2145D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase (Influenza A virus) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking Union Medical College Curated by ChEMBL | Assay Description Inhibition of Influenza A Jiangsu/10/2003 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | Bioorg Med Chem 16: 7141-7 (2008) Article DOI: 10.1016/j.bmc.2008.06.049 BindingDB Entry DOI: 10.7270/Q2R2145D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article | n/a | n/a | 4.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of Homo sapiens (human) recombinant GSK3beta after 30 min by Kinase-Glo assay | Citation and Details Article DOI: 10.1007/s00044-012-0353-y BindingDB Entry DOI: 10.7270/Q29Z97T4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase (Influenza A virus) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking Union Medical College Curated by ChEMBL | Assay Description Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | Bioorg Med Chem 16: 7141-7 (2008) Article DOI: 10.1016/j.bmc.2008.06.049 BindingDB Entry DOI: 10.7270/Q2R2145D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-glucosidase MAL62 (Saccharomyces cerevisiae) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article | n/a | n/a | 7.50E+10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of baker's yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate by spectrophotometry | Citation and Details Article DOI: 10.1007/s00044-011-9938-0 BindingDB Entry DOI: 10.7270/Q29W0JBG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inositol hexakisphosphate kinase 2 (Homo sapiens) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Environmental Health Sciences Curated by ChEMBL | Assay Description Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay | J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593 BindingDB Entry DOI: 10.7270/Q2FF3WRW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inositol polyphosphate multikinase (Homo sapiens) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Environmental Health Sciences Curated by ChEMBL | Assay Description Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay | J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593 BindingDB Entry DOI: 10.7270/Q2FF3WRW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proteasome subunit beta type-5 (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Agricultural and Food Biotechnology Curated by ChEMBL | Assay Description Inhibition of chymotrypsin-like activity of purified human 20S proteasome expressed in human Jurkat cells assessed as decrease in AMC hydrolysis usin... | Eur J Med Chem 167: 291-311 (2019) Article DOI: 10.1016/j.ejmech.2019.01.044 BindingDB Entry DOI: 10.7270/Q2ST7TB3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proteasome subunit beta type-5 (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Agricultural and Food Biotechnology Curated by ChEMBL | Assay 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... | Eur J Med Chem 167: 291-311 (2019) Article DOI: 10.1016/j.ejmech.2019.01.044 BindingDB Entry DOI: 10.7270/Q2ST7TB3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of electric eel AChE by Ellman's method | Citation and Details Article DOI: 10.1016/j.bmcl.2021.128316 BindingDB Entry DOI: 10.7270/Q2P84GPV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aromatase (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Central University of Punjab Curated by ChEMBL | Assay Description Inhibition of aromatase in human MCF7 cells using [1beta-3H]androstenedione as substrate measured after 1 hr by liquid scintillation counting method | Eur J Med Chem 119: 141-68 (2016) Article DOI: 10.1016/j.ejmech.2016.03.087 BindingDB Entry DOI: 10.7270/Q29Z96V5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonyl reductase [NADPH] 1 (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Tübingen Curated by ChEMBL | Assay Description Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate | Bioorg Med Chem 17: 530-6 (2009) Article DOI: 10.1016/j.bmc.2008.11.076 BindingDB Entry DOI: 10.7270/Q2SJ1KFH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pancreatic triacylglycerol lipase (Sus scrofa (Pig)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chungbuk National University Curated by ChEMBL | Assay Description Inhibition of porcine pancreatic lipase pre-incubated for 15 mins before p-nitrophenylbutyrate substrate addition by microplate reader based method | Bioorg Med Chem Lett 25: 3455-7 (2015) Article DOI: 10.1016/j.bmcl.2015.07.017 BindingDB Entry DOI: 10.7270/Q2H41T73 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aromatase (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hawaii at Manoa Curated by ChEMBL | Assay Description Inhibition of aromatase (unknown origin) using dibenzylfluorescein substrate after 24 hrs by fluorescence assay | J Nat Prod 77: 1644-9 (2014) Article DOI: 10.1021/np500256w BindingDB Entry DOI: 10.7270/Q2GM88Z2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aromatase (Homo sapiens (Human)) | BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago Curated by ChEMBL | Assay Description Inhibition of aromatase from human placental microsomes | J Nat Prod 64: 1286-93 (2001) BindingDB Entry DOI: 10.7270/Q2RB74C4 | |||||||||||
More data for this Ligand-Target Pair |
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