BDBM50096026 2-{3-[4-(3-Amino-propylamino)-butylamino]-propylamino}-3-methyl-[1,4]naphthoquinone::CHEMBL153337

SMILES: Cc1c(O)c2ccccc2c(O)c1N=CCCNCCCCNCCCN

InChI Key: InChIKey=JBUNBCCMIVHHLE-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 = 50096026   

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)	BDBM50096026 (2-{3-[4-(3-Amino-propylamino)-butylamino]-propylam...) Show SMILES Cc1c(O)c2ccccc2c(O)c1N=CCCNCCCCNCCCN |w:14.16| Show InChI InChI=1S/C21H32N4O2/c1-16-19(21(27)18-9-3-2-8-17(18)20(16)26)25-15-7-14-24-12-5-4-11-23-13-6-10-22/h2-3,8-9,15,23-24,26-27H,4-7,10-14,22H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+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