BDBM50309772 8-methoxy-5-(phenethylamino)-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one::CHEMBL599072

SMILES: COc1ccc2c(c1)c(=O)c1c(NCCc3ccccc3)ccc3nnn2c13

InChI Key: InChIKey=QGIGJBHMZUIDIZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50309772   

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
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50309772 (8-methoxy-5-(phenethylamino)-6H-[1,2,3]triazolo[4,...) Show SMILES COc1ccc2c(c1)c(=O)c1c(NCCc3ccccc3)ccc3nnn2c13 Show InChI InChI=1S/C22H18N4O2/c1-28-15-7-10-19-16(13-15)22(27)20-17(8-9-18-21(20)26(19)25-24-18)23-12-11-14-5-3-2-4-6-14/h2-10,13,23H,11-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50309772 (8-methoxy-5-(phenethylamino)-6H-[1,2,3]triazolo[4,...) Show SMILES COc1ccc2c(c1)c(=O)c1c(NCCc3ccccc3)ccc3nnn2c13 Show InChI InChI=1S/C22H18N4O2/c1-28-15-7-10-19-16(13-15)22(27)20-17(8-9-18-21(20)26(19)25-24-18)23-12-11-14-5-3-2-4-6-14/h2-10,13,23H,11-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair