Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 366.4 BDBM50190497

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
NADPH oxidase 4 (Homo sapiens (Human))	BDBM50190497 (CHEMBL3827227) Show SMILES CN1C(=S)N(C(=O)\C1=C\c1cccc(O)c1O)c1ccc2CCCc2c1 Show InChI InChI=1S/C20H18N2O3S/c1-21-16(11-14-6-3-7-17(23)18(14)24)19(25)22(20(21)26)15-9-8-12-4-2-5-13(12)10-15/h3,6-11,23-24H,2,4-5H2,1H3/b16-11-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human NOX4 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay				Bioorg Med Chem 24: 4144-4151 (2016) Article DOI: 10.1016/j.bmc.2016.06.056 BindingDB Entry DOI: 10.7270/Q2XK8HHT
					More data for this Ligand-Target Pair
NADPH oxidase 1 (Homo sapiens (Human))	BDBM50190497 (CHEMBL3827227) Show SMILES CN1C(=S)N(C(=O)\C1=C\c1cccc(O)c1O)c1ccc2CCCc2c1 Show InChI InChI=1S/C20H18N2O3S/c1-21-16(11-14-6-3-7-17(23)18(14)24)19(25)22(20(21)26)15-9-8-12-4-2-5-13(12)10-15/h3,6-11,23-24H,2,4-5H2,1H3/b16-11-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human NOX1 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay				Bioorg Med Chem 24: 4144-4151 (2016) Article DOI: 10.1016/j.bmc.2016.06.056 BindingDB Entry DOI: 10.7270/Q2XK8HHT
					More data for this Ligand-Target Pair