BDBM50309774 5-(3-hydroxypropylamino)-8-bromo-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one::CHEMBL599687

SMILES: OCCCNc1ccc2nnn3c2c1c(=O)c1cc(Br)ccc31

InChI Key: InChIKey=YCZLHJGXROGZPS-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 = 50309774   

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))	BDBM50309774 (5-(3-hydroxypropylamino)-8-bromo-6H-[1,2,3]triazol...) Show SMILES OCCCNc1ccc2nnn3c2c1c(=O)c1cc(Br)ccc31 Show InChI InChI=1S/C16H13BrN4O2/c17-9-2-5-13-10(8-9)16(23)14-11(18-6-1-7-22)3-4-12-15(14)21(13)20-19-12/h2-5,8,18,22H,1,6-7H2	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	145	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))	BDBM50309774 (5-(3-hydroxypropylamino)-8-bromo-6H-[1,2,3]triazol...) Show SMILES OCCCNc1ccc2nnn3c2c1c(=O)c1cc(Br)ccc31 Show InChI InChI=1S/C16H13BrN4O2/c17-9-2-5-13-10(8-9)16(23)14-11(18-6-1-7-22)3-4-12-15(14)21(13)20-19-12/h2-5,8,18,22H,1,6-7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	987	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