BDBM106775 6,7‐dihydroxy‐3‐(4‐nitrophenyl)‐4H‐chromen‐4‐one::6,7-Dihydroxy-4′-nitroisoflavone (1b)::IR-6

SMILES: Oc1cc2occ(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2cc1O

InChI Key: InChIKey=ALGKUYVATFTEGP-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 106775   

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
12-Lipoxygenase (12-LOX) (Homo sapiens (Human))	BDBM106775 (6,7‐dihydroxy‐3‐(4‐nitroph...) Show SMILES Oc1cc2occ(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2cc1O Show InChI InChI=1S/C15H9NO6/c17-12-5-10-14(6-13(12)18)22-7-11(15(10)19)8-1-3-9(4-2-8)16(20)21/h1-7,17-18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	8.0	23
Universidad de Santiago de Chile					Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...				Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3
					More data for this Ligand-Target Pair
Arachidonate 15-lipoxygenase (Homo sapiens (Human))	BDBM106775 (6,7‐dihydroxy‐3‐(4‐nitroph...) Show SMILES Oc1cc2occ(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2cc1O Show InChI InChI=1S/C15H9NO6/c17-12-5-10-14(6-13(12)18)22-7-11(15(10)19)8-1-3-9(4-2-8)16(20)21/h1-7,17-18H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	23
Universidad de Santiago de Chile					Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...				Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM106775 (6,7‐dihydroxy‐3‐(4‐nitroph...) Show SMILES Oc1cc2occ(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2cc1O Show InChI InChI=1S/C15H9NO6/c17-12-5-10-14(6-13(12)18)22-7-11(15(10)19)8-1-3-9(4-2-8)16(20)21/h1-7,17-18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	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
15-Lipoxygenase-2 (15-LOX-2) (Homo sapiens (Human))	BDBM106775 (6,7‐dihydroxy‐3‐(4‐nitroph...) Show SMILES Oc1cc2occ(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2cc1O Show InChI InChI=1S/C15H9NO6/c17-12-5-10-14(6-13(12)18)22-7-11(15(10)19)8-1-3-9(4-2-8)16(20)21/h1-7,17-18H	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+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
15-Lipoxygenase-2 (15-LOX-2) (Homo sapiens (Human))	BDBM106775 (6,7‐dihydroxy‐3‐(4‐nitroph...) Show SMILES Oc1cc2occ(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2cc1O Show InChI InChI=1S/C15H9NO6/c17-12-5-10-14(6-13(12)18)22-7-11(15(10)19)8-1-3-9(4-2-8)16(20)21/h1-7,17-18H	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	7.5	23
Universidad de Santiago de Chile					Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...				Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3
					More data for this Ligand-Target Pair