BDBM50187658 4',5-dihydroxy-7-methoxy flavone::4',5-dihydroxy-7-methoxyflavone::5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one::7-O-methylapigenin::CHEMBL210635::Gonkwanin::genkwanin
SMILES: COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)cc1
InChI Key: InChIKey=JPMYFOBNRRGFNO-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 1B1 (Homo sapiens (Human)) | BDBM50187658 (4',5-dihydroxy-7-methoxy flavone | 4',5-dihydroxy-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | >2.34E+3 | 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)) | BDBM50187658 (4',5-dihydroxy-7-methoxy flavone | 4',5-dihydroxy-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | >2.34E+3 | 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 | |||||||||||||
Inositol hexakisphosphate kinase 2 (Homo sapiens) | BDBM50187658 (4',5-dihydroxy-7-methoxy flavone | 4',5-dihydroxy-...) | UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Environmental Health Sciences Curated by ChEMBL | Assay Description Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay | J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human)) | BDBM50187658 (4',5-dihydroxy-7-methoxy flavone | 4',5-dihydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | n/a | n/a | 979 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM50187658 (4',5-dihydroxy-7-methoxy flavone | 4',5-dihydroxy-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >7.03E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois Curated by ChEMBL | Assay Description Inhibition of HIV1 RT | J Nat Prod 54: 143-54 Article DOI: 10.1021/np50073a012 BindingDB Entry DOI: 10.7270/Q2NK3HTG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inositol polyphosphate multikinase (Homo sapiens) | BDBM50187658 (4',5-dihydroxy-7-methoxy flavone | 4',5-dihydroxy-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Environmental Health Sciences Curated by ChEMBL | Assay Description Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay | J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sialidase 2 (Homo sapiens (Human)) | BDBM50187658 (4',5-dihydroxy-7-methoxy flavone | 4',5-dihydroxy-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University Curated by ChEMBL | Assay Description Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of 0.1% Triton X-100 by discontinuous fluorimetric assay | Bioorg Med Chem 18: 1633-40 (2010) Article DOI: 10.1016/j.bmc.2009.12.062 BindingDB Entry DOI: 10.7270/Q26110F1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase Lck (Homo sapiens (Human)) | BDBM50187658 (4',5-dihydroxy-7-methoxy flavone | 4',5-dihydroxy-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of p56 lck | J Nat Prod 55: 1529-1560 (1992) Article DOI: 10.1021/np50089a001 BindingDB Entry DOI: 10.7270/Q2J966CC | |||||||||||
More data for this Ligand-Target Pair |