BDBM50139862 3-(4-Hydroxy-phenyl)-chroman-6,7-diol::4',6,7-trihydroxyisoflavan::CHEMBL8328::HIR-1

SMILES: Oc1ccc(cc1)C1COc2cc(O)c(O)cc2C1

InChI Key: InChIKey=NLIIKGCVOJPMQB-UHFFFAOYSA-N

Data: 5 IC50  1 Kd

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 6 hits for monomerid = 50139862   

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
15-Lipoxygenase-2 (15-LOX-2) (Homo sapiens (Human))	BDBM50139862 (3-(4-Hydroxy-phenyl)-chroman-6,7-diol | 4',6,7-tri...) Show SMILES Oc1ccc(cc1)C1COc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C15H14O4/c16-12-3-1-9(2-4-12)11-5-10-6-13(17)14(18)7-15(10)19-8-11/h1-4,6-7,11,16-18H,5,8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.10E+4	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
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50139862 (3-(4-Hydroxy-phenyl)-chroman-6,7-diol | 4',6,7-tri...) Show SMILES Oc1ccc(cc1)C1COc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C15H14O4/c16-12-3-1-9(2-4-12)11-5-10-6-13(17)14(18)7-15(10)19-8-11/h1-4,6-7,11,16-18H,5,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	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
Estrogen receptor beta (Ovis aries)	BDBM50139862 (3-(4-Hydroxy-phenyl)-chroman-6,7-diol | 4',6,7-tri...) Show SMILES Oc1ccc(cc1)C1COc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C15H14O4/c16-12-3-1-9(2-4-12)11-5-10-6-13(17)14(18)7-15(10)19-8-11/h1-4,6-7,11,16-18H,5,8H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-estradiol (E2) from sheep uterine estrogen receptor				J Med Chem 47: 1018-30 (2004) Article DOI: 10.1021/jm0309607 BindingDB Entry DOI: 10.7270/Q2VM4G1B
					More data for this Ligand-Target Pair
12-Lipoxygenase (12-LOX) (Homo sapiens (Human))	BDBM50139862 (3-(4-Hydroxy-phenyl)-chroman-6,7-diol | 4',6,7-tri...) Show SMILES Oc1ccc(cc1)C1COc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C15H14O4/c16-12-3-1-9(2-4-12)11-5-10-6-13(17)14(18)7-15(10)19-8-11/h1-4,6-7,11,16-18H,5,8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Chile Curated by ChEMBL					Assay Description Inhibition of 12-hLO				Bioorg Med Chem 15: 7408-25 (2007) Article DOI: 10.1016/j.bmc.2007.07.036 BindingDB Entry DOI: 10.7270/Q2RN37KN
					More data for this Ligand-Target Pair
Arachidonate 15-lipoxygenase (Homo sapiens (Human))	BDBM50139862 (3-(4-Hydroxy-phenyl)-chroman-6,7-diol | 4',6,7-tri...) Show SMILES Oc1ccc(cc1)C1COc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C15H14O4/c16-12-3-1-9(2-4-12)11-5-10-6-13(17)14(18)7-15(10)19-8-11/h1-4,6-7,11,16-18H,5,8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Chile Curated by ChEMBL					Assay Description Inhibition of 15-hLO1				Bioorg Med Chem 15: 7408-25 (2007) Article DOI: 10.1016/j.bmc.2007.07.036 BindingDB Entry DOI: 10.7270/Q2RN37KN
					More data for this Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2) (Homo sapiens (Human))	BDBM50139862 (3-(4-Hydroxy-phenyl)-chroman-6,7-diol | 4',6,7-tri...) Show SMILES Oc1ccc(cc1)C1COc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C15H14O4/c16-12-3-1-9(2-4-12)11-5-10-6-13(17)14(18)7-15(10)19-8-11/h1-4,6-7,11,16-18H,5,8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Chile Curated by ChEMBL					Assay Description Inhibition of 15-hLO2				Bioorg Med Chem 15: 7408-25 (2007) Article DOI: 10.1016/j.bmc.2007.07.036 BindingDB Entry DOI: 10.7270/Q2RN37KN
					More data for this Ligand-Target Pair