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| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Cytochrome P450 1B1 (Homo sapiens (Human)) | BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | 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 | 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Crete Curated by ChEMBL | Assay Description Inhibition of CYP1B1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin | Bioorg Med Chem 19: 2842-9 (2011) Article DOI: 10.1016/j.bmc.2011.03.042 BindingDB Entry DOI: 10.7270/Q2V69JXK | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | 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 | 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Crete Curated by ChEMBL | Assay Description Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin | Bioorg Med Chem 19: 2842-9 (2011) Article DOI: 10.1016/j.bmc.2011.03.042 BindingDB Entry DOI: 10.7270/Q2V69JXK | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Xanthine dehydrogenase/oxidase (Homo sapiens (Human)) | BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | 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 | 520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University Curated by ChEMBL | Assay Description Inhibition of xanthine oxidase (unknown origin) | Eur J Med Chem 84: 206-39 (2014) Article DOI: 10.1016/j.ejmech.2014.07.013 BindingDB Entry DOI: 10.7270/Q2GH9KMN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Casein kinase II subunit alpha (Homo sapiens (Human)) | BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 740 | -34.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
University of Padova | Assay 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... | Biochem J 374: 639-46 (2003) Article DOI: 10.1042/BJ20030674 BindingDB Entry DOI: 10.7270/Q2BV7DTQ | |||||||||||
| More data for this Ligand-Target Pair |  3D Structure (crystal) | ||||||||||||
| Casein kinase II subunit alpha (Homo sapiens (Human)) | BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of CK2alpha (unknown origin) | Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111581 BindingDB Entry DOI: 10.7270/Q29K4FJB | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Multidrug resistance-associated protein 1 (Homo sapiens (Human)) | BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | 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 | |||||||||||||
| Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | 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 | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Ondokuz Mayis University | Assay 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 ... | J Enzyme Inhib Med Chem 28: 283-8 (2013) Article DOI: 10.3109/14756366.2011.643303 BindingDB Entry DOI: 10.7270/Q2QR4W1F | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Displacement of specific [3H]-PIA binding from adenosine A1 receptor in rat brain membranes. | J Med Chem 39: 781-8 (1996) Article DOI: 10.1021/jm950661k BindingDB Entry DOI: 10.7270/Q2M32TV4 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 3.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Ability to displace [3H]N6-phenylisopropyladenosine binding from adenosine A1 receptor. | J Med Chem 41: 46-52 (1998) Checked by Author Article DOI: 10.1021/jm970446z BindingDB Entry DOI: 10.7270/Q2NC62QT | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | 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 | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Ondokuz Mayis University | Assay 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 ... | J Enzyme Inhib Med Chem 28: 283-8 (2013) Article DOI: 10.3109/14756366.2011.643303 BindingDB Entry DOI: 10.7270/Q2QR4W1F | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Multidrug resistance-associated protein 1 (Homo sapiens (Human)) | BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 4.90E+3 | 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 | |||||||||||||
| Aldo-keto reductase family 1 member B10 (Homo sapiens (Human)) | BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove Curated by ChEMBL | Assay Description Non-competitive inhibition of recombinant human N-terminal His6-tagged AKR1B10 expressed in Escherichia coli BL21 cells using all-trans-retinal as su... | J Nat Prod 78: 2666-74 (2015) Article DOI: 10.1021/acs.jnatprod.5b00616 BindingDB Entry DOI: 10.7270/Q2XG9V5T | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A2a (Rattus norvegicus (rat)) | BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 7.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Affinity at Adenosine A2A receptor in rat striatal membranes by [3H]- CGS 21680 displacement. | J Med Chem 39: 781-8 (1996) Article DOI: 10.1021/jm950661k BindingDB Entry DOI: 10.7270/Q2M32TV4 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A2a (Rattus norvegicus (rat)) | BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 7.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Ability to displace [3H]-CGS- 21680 binding from adenosine A2A receptor. | J Med Chem 41: 46-52 (1998) Checked by Author Article DOI: 10.1021/jm970446z BindingDB Entry DOI: 10.7270/Q2NC62QT | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | 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 | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Ondokuz Mayis University | Assay 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 ... | J Enzyme Inhib Med Chem 28: 283-8 (2013) Article DOI: 10.3109/14756366.2011.643303 BindingDB Entry DOI: 10.7270/Q2QR4W1F | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-secretase 1 (Homo sapiens (Human)) | BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica Curated by ChEMBL | Assay Description Competitive inhibition of human recombinant BChE using panvera peptide as substrate preincubated for 60 mins before substrate addition by FRET assay | J Med Chem 55: 1303-17 (2012) Article DOI: 10.1021/jm201460y BindingDB Entry DOI: 10.7270/Q2M32WS2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 3 (Bos taurus (Cattle)) | BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Ondokuz Mayis University | Assay 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 ... | J Enzyme Inhib Med Chem 28: 283-8 (2013) Article DOI: 10.3109/14756366.2011.643303 BindingDB Entry DOI: 10.7270/Q2QR4W1F | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| D-alanine--D-alanine ligase (Helicobacter pylori (strain HPAG1)) | BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Competitive inhibition of Helicobacter pylori Ddl using ATP as substrate | Citation and Details Article DOI: 10.1007/s00044-012-0207-7 BindingDB Entry DOI: 10.7270/Q2CZ3B2V | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cholinesterase (Homo sapiens (Human)) | BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | 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 | 3.74E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Medical Research and Occupational Health Curated by ChEMBL | Assay Description Inhibition of human plasma BChE by Ellman's method | Eur J Med Chem 45: 186-92 (2010) Article DOI: 10.1016/j.ejmech.2009.09.041 BindingDB Entry DOI: 10.7270/Q2BP03Q8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Neutrophil elastase (Homo sapiens (Human)) | BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 4.99E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL | Assay Description Noncompetitive inhibition of human neutrophil elastase using varying levels of MeOSuc-AAPV-pNA as substrate measured after 30 mins by double-reciproc... | J Nat Prod 80: 2659-2665 (2017) Article DOI: 10.1021/acs.jnatprod.7b00325 BindingDB Entry DOI: 10.7270/Q2RX9FK5 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human)) | BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 8.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University Curated by ChEMBL | Assay Description Inhibition of forskolin-stimulated CFTR (unknown origin) | Eur J Med Chem 84: 206-39 (2014) Article DOI: 10.1016/j.ejmech.2014.07.013 BindingDB Entry DOI: 10.7270/Q2GH9KMN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Acetylcholinesterase (Homo sapiens (Human)) | BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | 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 | 1.22E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Medical Research and Occupational Health Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE by Ellman's method | Eur J Med Chem 45: 186-92 (2010) Article DOI: 10.1016/j.ejmech.2009.09.041 BindingDB Entry DOI: 10.7270/Q2BP03Q8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean)) | BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.78E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Porto Curated by ChEMBL | Assay Description Mixed noncompetitive type inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Line... | Eur J Med Chem 72: 137-45 (2014) Article DOI: 10.1016/j.ejmech.2013.11.030 BindingDB Entry DOI: 10.7270/Q27H1M2P | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
