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BDBM50041802 1,8-dihydroxy-9(10H)-anthracenone::1,8-dihydroxy-9-anthrone::1,8-dihydroxyanthracen-9(10H)-one::1,8-dihydroxyanthrone::CHEMBL46469::US9182402, 15::anthralin::cid_2202::dithranol
SMILES: Oc1cccc2Cc3cccc(O)c3C(=O)c12
InChI Key: InChIKey=NUZWLKWWNNJHPT-UHFFFAOYSA-N
Data: 17 IC50
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| core protein (Hepatitis C virus) | BDBM50041802 (1,8-dihydroxy-9(10H)-anthracenone | 1,8-dihydroxy-...) | UniProtKB/TrEMBL GoogleScholar AffyNet  | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | >4.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29Z939R | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human)) | BDBM50041802 (1,8-dihydroxy-9(10H)-anthracenone | 1,8-dihydroxy-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany. Curated by ChEMBL | Assay Description Inhibition of SIRT5 (unknown origin) using GGQSLK[succ]FGKG as substrate after 30 mins | J Med Chem 61: 2460-2471 (2018) Article DOI: 10.1021/acs.jmedchem.7b01648 BindingDB Entry DOI: 10.7270/Q2WW7M4J | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Hepsin (Homo sapiens (Human)) | BDBM50041802 (1,8-dihydroxy-9(10H)-anthracenone | 1,8-dihydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Fred Hutchinson Cancer Research Center US Patent | Assay Description To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav... | US Patent US9182402 (2015) BindingDB Entry DOI: 10.7270/Q23F4NF7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Trypsin (Sus scrofa) | BDBM50041802 (1,8-dihydroxy-9(10H)-anthracenone | 1,8-dihydroxy-...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fred Hutchinson Cancer Research Center US Patent | Assay Description To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav... | US Patent US9182402 (2015) BindingDB Entry DOI: 10.7270/Q23F4NF7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Thrombin (Bos taurus (Bovine)) | BDBM50041802 (1,8-dihydroxy-9(10H)-anthracenone | 1,8-dihydroxy-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fred Hutchinson Cancer Research Center US Patent | Assay Description To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav... | US Patent US9182402 (2015) BindingDB Entry DOI: 10.7270/Q23F4NF7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Arachidonate 5-lipoxygenase (Bos taurus) | BDBM50041802 (1,8-dihydroxy-9(10H)-anthracenone | 1,8-dihydroxy-...) | PDB MMDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Regensburg Curated by ChEMBL | Assay Description Tested for the inhibition of lipid peroxidation in bovine brain phospholipid liposomes | J Med Chem 36: 4099-107 (1994) BindingDB Entry DOI: 10.7270/Q2G44PC2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Arachidonate 5-lipoxygenase (Homo sapiens (Human)) | BDBM50041802 (1,8-dihydroxy-9(10H)-anthracenone | 1,8-dihydroxy-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Regensburg Curated by ChEMBL | Assay Description Inhibitory concentration against arachidonic acid 5-lipoxygenation | J Med Chem 37: 1660-9 (1994) BindingDB Entry DOI: 10.7270/Q2H70DW9 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Arachidonate 5-lipoxygenase (Bos taurus) | BDBM50041802 (1,8-dihydroxy-9(10H)-anthracenone | 1,8-dihydroxy-...) | PDB MMDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Regensburg Curated by ChEMBL | Assay Description Inhibition of 5-lipoxygenase in bovine polymorphonuclear leukocytes | J Med Chem 37: 1660-9 (1994) BindingDB Entry DOI: 10.7270/Q2H70DW9 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Arachidonate 5-lipoxygenase (Bos taurus) | BDBM50041802 (1,8-dihydroxy-9(10H)-anthracenone | 1,8-dihydroxy-...) | PDB MMDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Regensburg Curated by ChEMBL | Assay Description Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL). | J Med Chem 36: 4099-107 (1994) BindingDB Entry DOI: 10.7270/Q2G44PC2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Arachidonate 5-lipoxygenase (Bos taurus) | BDBM50041802 (1,8-dihydroxy-9(10H)-anthracenone | 1,8-dihydroxy-...) | PDB MMDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität Münster Curated by ChEMBL | Assay Description 5-LO inhibitory activity, measured by production of 5-hydroxyeicosatetraenoic acid (5-HETE) and leukotriene B4 (LTB4) in bovine polymorphonuclear leu... | J Med Chem 40: 2780-7 (1997) Article DOI: 10.1021/jm9701785 BindingDB Entry DOI: 10.7270/Q28C9VB4 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Arachidonate 5-lipoxygenase (Bos taurus) | BDBM50041802 (1,8-dihydroxy-9(10H)-anthracenone | 1,8-dihydroxy-...) | PDB MMDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität Münster Curated by ChEMBL | Assay Description 5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL) | J Med Chem 40: 3773-80 (1997) Article DOI: 10.1021/jm970292n BindingDB Entry DOI: 10.7270/Q20R9NJN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Bile salt export pump (Homo sapiens (Human)) | BDBM50041802 (1,8-dihydroxy-9(10H)-anthracenone | 1,8-dihydroxy-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM50041802 (1,8-dihydroxy-9(10H)-anthracenone | 1,8-dihydroxy-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| NAD-dependent protein deacetylase sirtuin-5 (SIRT5) (Homo sapiens (Human)) | BDBM50041802 (1,8-dihydroxy-9(10H)-anthracenone | 1,8-dihydroxy-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.53E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany. Curated by ChEMBL | Assay Description Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(... | J Med Chem 61: 2460-2471 (2018) Article DOI: 10.1021/acs.jmedchem.7b01648 BindingDB Entry DOI: 10.7270/Q2WW7M4J | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM50041802 (1,8-dihydroxy-9(10H)-anthracenone | 1,8-dihydroxy-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM50041802 (1,8-dihydroxy-9(10H)-anthracenone | 1,8-dihydroxy-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| DNA dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human)) | BDBM50041802 (1,8-dihydroxy-9(10H)-anthracenone | 1,8-dihydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | 25 |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2HQ3XD6 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
