BDBM24776 1,4-Naphthoquinone::1,4-Naphthoquinone (5a)::1,4-dihydronaphthalene-1,4-dione::1,4-naphtho-quinone, 3::CHEMBL55934
SMILES: O=C1C=CC(=O)c2ccccc12
InChI Key: InChIKey=FRASJONUBLZVQX-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM24776 (1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Rio de Janeiro Curated by ChEMBL | Assay Description Competitive inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using benzylamine as substrate by Lineweaver-Burk pl... | Bioorg Med Chem 19: 7416-24 (2011) Article DOI: 10.1016/j.bmc.2011.10.049 BindingDB Entry DOI: 10.7270/Q2571CFB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase (flavin-containing) A (Homo sapiens (Human)) | BDBM24776 (1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...) | PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Rio de Janeiro Curated by ChEMBL | Assay Description Noncompetitive inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using p-tyramine as substrate by Lineweaver-Burk ... | Bioorg Med Chem 19: 7416-24 (2011) Article DOI: 10.1016/j.bmc.2011.10.049 BindingDB Entry DOI: 10.7270/Q2571CFB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase (flavin-containing) A (Homo sapiens (Human)) | BDBM24776 (1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...) | PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University | Assay Description The protocol for measuring IC50 values for the inhibition of MAO-A and MAO-B has been reported in detail in a recent publication (26). The recombinan... | Chem Biol Drug Des 87: 737-46 (2016) Article DOI: 10.1111/cbdd.12708 BindingDB Entry DOI: 10.7270/Q2MG7N84 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monoamine oxidase B (MAO-B) (Homo sapiens (Human)) | BDBM24776 (1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...) | PDB UniProtKB/TrEMBL GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University | Assay Description The protocol for measuring IC50 values for the inhibition of MAO-A and MAO-B has been reported in detail in a recent publication (26). The recombinan... | Chem Biol Drug Des 87: 737-46 (2016) Article DOI: 10.1111/cbdd.12708 BindingDB Entry DOI: 10.7270/Q2MG7N84 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human rhinovirus A protease (Human rhinovirus B) | BDBM24776 (1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...) | MMDB UniProtKB/TrEMBL GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against HRV 3Cpro using HPLC assay | Bioorg Med Chem Lett 11: 3143-6 (2001) Article DOI: 10.1016/s0960-894x(01)00648-5 BindingDB Entry DOI: 10.7270/Q2T43SDG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Papain (Carica papaya) | BDBM24776 (1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...) | PDB MMDB UniProtKB/SwissProt DrugBank GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against papain using HPLC assay | Bioorg Med Chem Lett 11: 3143-6 (2001) Article DOI: 10.1016/s0960-894x(01)00648-5 BindingDB Entry DOI: 10.7270/Q2T43SDG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity phosphatase Cdc25B (Homo sapiens (Human)) | BDBM24776 (1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Polytechnic Institute and State University Curated by ChEMBL | Assay Description Inhibition of histidine-tagged human recombinant Cdc25B catalytic domain expressed in Escherichia coli | Bioorg Med Chem 17: 2276-81 (2009) Article DOI: 10.1016/j.bmc.2008.10.090 BindingDB Entry DOI: 10.7270/Q21J99MN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity protein phosphatase 1 (Mus musculus) | BDBM24776 (1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 8.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Polytechnic Institute and State University Curated by ChEMBL | Assay Description Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells | Bioorg Med Chem 17: 2276-81 (2009) Article DOI: 10.1016/j.bmc.2008.10.090 BindingDB Entry DOI: 10.7270/Q21J99MN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MKP-3 (Rattus norvegicus) | BDBM24776 (1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Polytechnic Institute and State University Curated by ChEMBL | Assay Description Inhibition of histidine-tagged rat recombinant MKP3 catalytic domain expressed in Escherichia coli BL21(DE3) | Bioorg Med Chem 17: 2276-81 (2009) Article DOI: 10.1016/j.bmc.2008.10.090 BindingDB Entry DOI: 10.7270/Q21J99MN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM24776 (1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 990 | n/a | n/a | n/a | n/a | n/a | n/a |
Gyeongsang National University Curated by ChEMBL | Assay Description Inhibition of 2,3 dioxygenase | Eur J Med Chem 45: 4004-12 (2010) Article DOI: 10.1016/j.ejmech.2010.05.057 BindingDB Entry DOI: 10.7270/Q2HX1CW5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human)) | BDBM24776 (1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...) | PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Inhibition of recombinant AKT1 (unknown origin) using serine/threonine 06 peptide as substrate after 1 hr by FRET based Z'-LYTE assay | Bioorg Med Chem Lett 24: 271-4 (2013) Article DOI: 10.1016/j.bmcl.2013.11.020 BindingDB Entry DOI: 10.7270/Q25T3MZK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human)) | BDBM24776 (1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of MEK1 | Proc Natl Acad Sci U S A 104: 20523-8 (2007) Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM24776 (1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Compound was tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay B) in Selectin E | Eur J Med Chem 126: 983-996 (2017) Article DOI: 10.1016/j.ejmech.2016.12.029 BindingDB Entry DOI: 10.7270/Q2RX9F9K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein G9a (G9a) (Homo sapiens (Human)) | BDBM24776 (1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...) | PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Radboud University Curated by ChEMBL | Assay Description Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ... | Bioorg Med Chem Lett 28: 1234-1238 (2018) Article DOI: 10.1016/j.bmcl.2018.02.043 BindingDB Entry DOI: 10.7270/Q24Q7XKJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone-lysine N-methyltransferase EHMT1 (Homo sapiens (Human)) | BDBM24776 (1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Radboud University Curated by ChEMBL | Assay Description Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ... | Bioorg Med Chem Lett 28: 1234-1238 (2018) Article DOI: 10.1016/j.bmcl.2018.02.043 BindingDB Entry DOI: 10.7270/Q24Q7XKJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM24776 (1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangxi Normal University Curated by ChEMBL | Assay Description Inhibition of recombinant human IDO1 using L-tryptophan as substrate incubated under dark conditions measured after 60 mins by fluorescence microplat... | J Med Chem 63: 1544-1563 (2020) Article DOI: 10.1021/acs.jmedchem.9b01386 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human)) | BDBM24776 (1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences & Peking Union Medical College Curated by ChEMBL | Assay Description Inhibition of human recombinant Pin1 using Suc-AEPF-NH-Np as substrate by alpha-chymotrypsin based assay | Bioorg Med Chem 29: (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-synuclein (Homo sapiens (Human)) | BDBM24776 (1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Catania Curated by ChEMBL | Assay Description Inhibition of wild type human alpha-synuclein fibrillization expressed in Escherichia coli BL21(DE3)pLysS by thioflavin-T based fluorescence assay | Eur J Med Chem 167: 10-36 (2019) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM24776 (1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 990 | n/a | n/a | n/a | n/a | 6.5 | 37 |
Bryn Mawr College | Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr... | J Med Chem 51: 1706-18 (2008) Article DOI: 10.1021/jm7014155 BindingDB Entry DOI: 10.7270/Q2VD6WSV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbon monoxide dehydrogenase (CODH) (Oligotropha carboxidovorans) | BDBM24776 (1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...) | PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 1.40E+5 | n/a | n/a | n/a | n/a | n/a |
University of California Riverside | Assay Description Inhibition of CODH by Diphenyliodomium chloride. Inactivation of the FAD cofactor of CODH was accomplished by covalent modification of the flavin wi... | Biochemistry 50: 1910-6 (2011) Article DOI: 10.1021/bi1017182 BindingDB Entry DOI: 10.7270/Q27M06JN | |||||||||||
More data for this Ligand-Target Pair |