Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 340.3 BDBM218835

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
Lipoxygenase (Solanum tuberosum (potato))	BDBM218835 (BIQD-substituted compound, S2) Show SMILES CC(=O)N(O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C19H20N2O4/c1-13(22)21(25)12-4-2-3-11-20-18(23)15-9-5-7-14-8-6-10-16(17(14)15)19(20)24/h5-10,25H,2-4,11-12H2,1H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney					Assay Description A colorimetric 5-LO assay kit (Lipoxygenase Inhibitor Screening Assay Kit) and potato 5-LO isolate were purchased from Cayman Chemicals (Ann Arbor, M...				Chembiochem 18: 368-373 (2017) Article DOI: 10.1002/cbic.201600636 BindingDB Entry DOI: 10.7270/Q2RV0MH7
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM218835 (BIQD-substituted compound, S2) Show SMILES CC(=O)N(O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C19H20N2O4/c1-13(22)21(25)12-4-2-3-11-20-18(23)15-9-5-7-14-8-6-10-16(17(14)15)19(20)24/h5-10,25H,2-4,11-12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.72E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney					Assay Description A FLUOR DE LYS fluorometric activity assay kit (HDAC source: HeLa cell nuclear extract) and a FLUOR DE LYS HDAC1 fluorometric drug discovery assay ki...				Chembiochem 18: 368-373 (2017) Article DOI: 10.1002/cbic.201600636 BindingDB Entry DOI: 10.7270/Q2RV0MH7
					More data for this Ligand-Target Pair