BDBM50209568 4',7,8-trihydroxyisoflavone::7,8,4'-trihydroxyisoflavone::7,8-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one::CHEMBL242739::IR-301

SMILES: Oc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O

InChI Key: InChIKey=BMZFZTMWBCFKSS-UHFFFAOYSA-N

Data: 10 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50209568   

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
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50209568 (4',7,8-trihydroxyisoflavone | 7,8,4'-trihydroxyiso...) Show SMILES Oc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50209568 (4',7,8-trihydroxyisoflavone | 7,8,4'-trihydroxyiso...) Show SMILES Oc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	8.0	n/a
Universidad de Santiago					Assay Description Approximately 2 µg of either COX-1 or COX-2 was added to buffer containing 100 µM AA, 0.1 M Tris-HCl buffer (pH 8.0), 5 mM EDTA, 2 mM phenol, and 1 µ...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50209568 (4',7,8-trihydroxyisoflavone | 7,8,4'-trihydroxyiso...) Show SMILES Oc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	8.0	n/a
Universidad de Santiago					Assay Description Approximately 2 µg of either COX-1 or COX-2 was added to buffer containing 100 µM AA, 0.1 M Tris-HCl buffer (pH 8.0), 5 mM EDTA, 2 mM phenol, and 1 µ...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50209568 (4',7,8-trihydroxyisoflavone | 7,8,4'-trihydroxyiso...) Show SMILES Oc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
AmorePacific Corporation Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin) assessed as decrease of superoxide generation				Bioorg Med Chem Lett 18: 5006-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.016 BindingDB Entry DOI: 10.7270/Q2QF8SQK
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50209568 (4',7,8-trihydroxyisoflavone | 7,8,4'-trihydroxyiso...) Show SMILES Oc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.48E+6	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori ATCC 43504 urease in presence of 0.4 mM 2-mercaptoethanol after 3 hrs pre-incubation				Bioorg Med Chem 15: 3703-10 (2007) Article DOI: 10.1016/j.bmc.2007.03.045 BindingDB Entry DOI: 10.7270/Q2P55R84
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM50209568 (4',7,8-trihydroxyisoflavone | 7,8,4'-trihydroxyiso...) Show SMILES Oc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
AmorePacific Corporation Curated by ChEMBL					Assay Description Inhibition of tyrosinase in mouse Melan-a cells by ELISA				Bioorg Med Chem Lett 20: 1162-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.021 BindingDB Entry DOI: 10.7270/Q2M045JZ
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50209568 (4',7,8-trihydroxyisoflavone | 7,8,4'-trihydroxyiso...) Show SMILES Oc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of PFKFB3 (unknown origin)				Bioorg Med Chem 22: 1029-39 (2014) Article DOI: 10.1016/j.bmc.2013.12.041 BindingDB Entry DOI: 10.7270/Q2TB18C4
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50209568 (4',7,8-trihydroxyisoflavone | 7,8,4'-trihydroxyiso...) Show SMILES Oc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori ATCC 43504 urease after 3 hrs pre-incubation				Bioorg Med Chem 15: 3703-10 (2007) Article DOI: 10.1016/j.bmc.2007.03.045 BindingDB Entry DOI: 10.7270/Q2P55R84
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50209568 (4',7,8-trihydroxyisoflavone | 7,8,4'-trihydroxyiso...) Show SMILES Oc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.48E+6	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori ATCC 43504 urease in presence of 0.4 mM dithiothreitol after 3 hrs pre-incubation				Bioorg Med Chem 15: 3703-10 (2007) Article DOI: 10.1016/j.bmc.2007.03.045 BindingDB Entry DOI: 10.7270/Q2P55R84
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50209568 (4',7,8-trihydroxyisoflavone | 7,8,4'-trihydroxyiso...) Show SMILES Oc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
AmorePacific Corporation Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin) assessed as decrease of uric acid generation				Bioorg Med Chem Lett 18: 5006-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.016 BindingDB Entry DOI: 10.7270/Q2QF8SQK
					More data for this Ligand-Target Pair