BDBM50096074 3-{3-[4-(3-Amino-propyl)-piperazin-1-yl]-propylamino}-5-hydroxy-2-methyl-[1,4]naphthoquinone::CHEMBL348714

SMILES: Cc1c(O)c2cccc(O)c2c(O)c1N=CCCN1CCN(CCCN)CC1

InChI Key: InChIKey=SYPALVWEZZNCAQ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50096074   

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
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096074 (3-{3-[4-(3-Amino-propyl)-piperazin-1-yl]-propylami...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1N=CCCN1CCN(CCCN)CC1 |w:15.17| Show InChI InChI=1S/C21H30N4O3/c1-15-19(21(28)18-16(20(15)27)5-2-6-17(18)26)23-8-4-10-25-13-11-24(12-14-25)9-3-7-22/h2,5-6,8,26-28H,3-4,7,9-14,22H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair