BDBM50096064 5-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-pentanoic acid (4-{3-[5-(3-methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-pentanoylamino]-propylamino}-butyl)-amide::CHEMBL152807

SMILES: Cc1c(O)c2ccccc2c(O)c1C=CCCC(=O)NCCCCNCCCNC(=O)CCC=Cc1c(C)c(O)c2ccccc2c1O

InChI Key: InChIKey=XMEILWAYWAXNTD-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 = 50096064   

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)	BDBM50096064 (5-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCC(=O)NCCCCNCCCNC(=O)CCC=Cc1c(C)c(O)c2ccccc2c1O |w:34.36,14.16| Show InChI InChI=1S/C39H47N3O6/c1-26-28(38(47)32-18-5-3-16-30(32)36(26)45)14-7-9-20-34(43)41-24-12-11-22-40-23-13-25-42-35(44)21-10-8-15-29-27(2)37(46)31-17-4-6-19-33(31)39(29)48/h3-8,14-19,40,45-48H,9-13,20-25H2,1-2H3,(H,41,43)(H,42,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	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