BDBM50267086 Adociaquinone B::CHEMBL476648
SMILES: C[C@@]12CCCc3coc(c13)C(=O)c1cc3C(=O)C4=NCCS(=O)(=O)C4C(=O)c3cc21
InChI Key: InChIKey=LBOQXMUUCSVOMQ-KEKNWZKVSA-N
Data: 8 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dual specificity phosphatase Cdc25B (Homo sapiens (Human)) | BDBM50267086 (Adociaquinone B | CHEMBL476648) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 80 | 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 full length human Cdc25B 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 phosphatase Cdc25B (Homo sapiens (Human)) | BDBM50267086 (Adociaquinone B | CHEMBL476648) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 110 | 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) | BDBM50267086 (Adociaquinone B | CHEMBL476648) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.10E+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 | |||||||||||||
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha (Homo sapiens (Human)) | BDBM50267086 (Adociaquinone B | CHEMBL476648) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi Curated by ChEMBL | Assay Description Inhibition of hypoxia-induced HIF1 activation in human T47D cells after 16 hrs by HRE3-TK-luciferase reporter gene assay | J Nat Prod 75: 1553-9 (2012) Article DOI: 10.1021/np3002892 BindingDB Entry DOI: 10.7270/Q2TH8QKK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity phosphatase Cdc25B (Homo sapiens (Human)) | BDBM50267086 (Adociaquinone B | CHEMBL476648) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris Descartes Curated by ChEMBL | Assay Description Inhibition of human recombinant CDC25B | Bioorg Med Chem 16: 9040-9 (2008) Article DOI: 10.1016/j.bmc.2008.08.009 BindingDB Entry DOI: 10.7270/Q2833SZB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity phosphatase Cdc25B (Homo sapiens (Human)) | BDBM50267086 (Adociaquinone B | CHEMBL476648) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Napoli Federico II Curated by ChEMBL | Assay Description Inhibition of Cdc25B | J Med Chem 55: 4142-58 (2012) Article DOI: 10.1021/jm201624h BindingDB Entry DOI: 10.7270/Q2X34ZJ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha (Homo sapiens (Human)) | BDBM50267086 (Adociaquinone B | CHEMBL476648) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi Curated by ChEMBL | Assay Description Inhibition of 1,10-phenanthroline-induced HIF1 activation in human T47D cells after 16 hrs by HRE3-TK-luciferase reporter gene assay | J Nat Prod 75: 1553-9 (2012) Article DOI: 10.1021/np3002892 BindingDB Entry DOI: 10.7270/Q2TH8QKK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MKP-3 (Rattus norvegicus) | BDBM50267086 (Adociaquinone B | CHEMBL476648) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.53E+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 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 |