BindingDB

null

SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1

InChI Key InChIKey=RHMXXJGYXNZAPX-UHFFFAOYSA-N

PDB links: 14 PDB IDs match this monomer. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 11318

Genome polyprotein(Human rhinovirus B)
Merck Research Laboratories

Curated by ChEMBL

BDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI

IC50: 1.50E+5nMAssay Description:Inhibitory activity against HRV 3Cpro using HPLC assayMore data for this Ligand-Target Pair

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Details
BindingDB Entry DOI: 10.7270/Q2T43SDGPubMed

Targets 32 ▿
- Casein kinase II subunit alpha 4
- Protein tyrosine phosphatase type IVA 3 3
- Genome polyprotein 3
- Cytochrome P450 1A1 2
- Procathepsin L 2
- Estrogen receptor 2
- Aldo-keto reductase family 1 member B1 2
- DNA gyrase inhibitor 2
- Estrogen receptor beta 2
- Tyrosine-protein kinase Lck 1
- 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ [1-175] 1
- Casein kinase II subunit alpha/beta 1
- Angiotensin-converting enzyme 2 1
- Amine oxidase [flavin-containing] B 1
- Amine oxidase [flavin-containing] A 1
- Transthyretin 1
- Casein kinase II subunit alpha 3 1
- Serine/threonine-protein kinase pim-1 1
- Sialidase-2 1
- P2Y purinoceptor 12 1
- Cytochrome P450 1B1 1
- Alpha-ketoglutarate-dependent dioxygenase FTO 1
- Cytochrome P450 1A2 1
- Bifunctional epoxide hydrolase 2 1
- Accessory gene regulator protein A 1
- Neutrophil elastase 1
- Tissue alpha-L-fucosidase 1
- Proteasome subunit beta type-5 1
- Proteasome subunit beta type-2 1
- 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ 1
- Spike glycoprotein 1
- Proteasome subunit beta type-1 1
Publications 21 ▿
- Bioorg Med Chem Lett 11: 1839-42 (2001) 4
- Bioorg Med Chem Lett 22: 323-6 (2011) 3
- Eur J Med Chem 167: 291-311 (2019) 3
- Eur J Med Chem 135: 296-306 (2017) 2
- Med Res Rev (2020) 2
- Biochemistry 55: 1091-9 (2016) 2
- J Med Chem 53: 1483-95 (2010) 2
- J Nat Prod 79: 1439-44 (2016) 2
- J Nat Prod 77: 1351-8 (2014) 1
- Eur J Med Chem 181: (2019) 1
- J Med Chem 52: 3784-93 (2009) 1
- Bioorg Med Chem Lett 11: 3143-6 (2001) 1
- Eur J Med Chem 144: 410-423 (2018) 1
- Bioorg Med Chem Lett 19: 2920-3 (2009) 1
- J Med Chem 35: 1597-605 (1992) 1
- Bioorg Med Chem Lett 25: 5097-101 (2015) 1
- Biochem J 374: 639-46 (2003) 1
- J Biol Chem 278: 1831-6 (2003) 1
- Bioorg Med Chem Lett 26: 3187-91 (2016) 1
- J Nat Prod 55: 1529-1560 (1992) 1
- Bioorg Med Chem 18: 1633-40 (2010) 1
Institutions 19 ▿
- [Kyoto Pharmaceutical University] 4
- [University of Bonn, Institute of Agricultural and Food Biotechnology, Korea Research Institute of Bioscience and Biotechnology] 3
- [University of Bonn, Institute of Agricultural and Food Biotechnology, Korea Research Institute of Bioscience and Biotechnology] 3
- [University of Bonn, Institute of Agricultural and Food Biotechnology, Korea Research Institute of Bioscience and Biotechnology] 3
- [University of Basel, Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Qu�bec - Research Center, Qu�bec, Qu�bec, Canada; Department of Molecular Medicine, Faculty of Medicine, Universit� Laval,, University of Padova, Brookhaven National Laboratory, University of Colorado] 2
- [University of Basel, Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Qu�bec - Research Center, Qu�bec, Qu�bec, Canada; Department of Molecular Medicine, Faculty of Medicine, Universit� Laval,, University of Padova, Brookhaven National Laboratory, University of Colorado] 2
- [University of Basel, Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Qu�bec - Research Center, Qu�bec, Qu�bec, Canada; Department of Molecular Medicine, Faculty of Medicine, Universit� Laval,, University of Padova, Brookhaven National Laboratory, University of Colorado] 2
- [University of Basel, Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Qu�bec - Research Center, Qu�bec, Qu�bec, Canada; Department of Molecular Medicine, Faculty of Medicine, Universit� Laval,, University of Padova, Brookhaven National Laboratory, University of Colorado] 2
- [University of Basel, Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Qu�bec - Research Center, Qu�bec, Qu�bec, Canada; Department of Molecular Medicine, Faculty of Medicine, Universit� Laval,, University of Padova, Brookhaven National Laboratory, University of Colorado] 2
- [School of Chemistry and Biochemistry, Hokkaido University, Merck Research Laboratories, TBA, Osaka Prefecture University, China Pharmaceutical University, Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN), Chungnam National University, Xavier University of Louisiana, University of North Carolina at Greensboro] 1
- [School of Chemistry and Biochemistry, Hokkaido University, Merck Research Laboratories, TBA, Osaka Prefecture University, China Pharmaceutical University, Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN), Chungnam National University, Xavier University of Louisiana, University of North Carolina at Greensboro] 1
- [School of Chemistry and Biochemistry, Hokkaido University, Merck Research Laboratories, TBA, Osaka Prefecture University, China Pharmaceutical University, Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN), Chungnam National University, Xavier University of Louisiana, University of North Carolina at Greensboro] 1
- [School of Chemistry and Biochemistry, Hokkaido University, Merck Research Laboratories, TBA, Osaka Prefecture University, China Pharmaceutical University, Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN), Chungnam National University, Xavier University of Louisiana, University of North Carolina at Greensboro] 1
- [School of Chemistry and Biochemistry, Hokkaido University, Merck Research Laboratories, TBA, Osaka Prefecture University, China Pharmaceutical University, Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN), Chungnam National University, Xavier University of Louisiana, University of North Carolina at Greensboro] 1
- [School of Chemistry and Biochemistry, Hokkaido University, Merck Research Laboratories, TBA, Osaka Prefecture University, China Pharmaceutical University, Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN), Chungnam National University, Xavier University of Louisiana, University of North Carolina at Greensboro] 1
- [School of Chemistry and Biochemistry, Hokkaido University, Merck Research Laboratories, TBA, Osaka Prefecture University, China Pharmaceutical University, Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN), Chungnam National University, Xavier University of Louisiana, University of North Carolina at Greensboro] 1
- [School of Chemistry and Biochemistry, Hokkaido University, Merck Research Laboratories, TBA, Osaka Prefecture University, China Pharmaceutical University, Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN), Chungnam National University, Xavier University of Louisiana, University of North Carolina at Greensboro] 1
- [School of Chemistry and Biochemistry, Hokkaido University, Merck Research Laboratories, TBA, Osaka Prefecture University, China Pharmaceutical University, Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN), Chungnam National University, Xavier University of Louisiana, University of North Carolina at Greensboro] 1
- [School of Chemistry and Biochemistry, Hokkaido University, Merck Research Laboratories, TBA, Osaka Prefecture University, China Pharmaceutical University, Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (CIBICAN), Chungnam National University, Xavier University of Louisiana, University of North Carolina at Greensboro] 1
Affinity: 2.4E+2 to 7.6E+5 nM▿
- Ki 8
- IC50 37
- EC50 1
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 1
Catalog Cmpds: 1