BDBM50096020 4-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-N-(3-{3-[4-(3-methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-butyrylamino]-propylamino}-propyl)-butyramide::CHEMBL152235

SMILES: Cc1c(O)c2ccccc2c(O)c1C=CCC(=O)NCCCNCCCNC(=O)CC=Cc1c(C)c(O)c2ccccc2c1O

InChI Key: InChIKey=JXEOUXZDJXJHHE-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 = 50096020   

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)	BDBM50096020 (4-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCC(=O)NCCCNCCCNC(=O)CC=Cc1c(C)c(O)c2ccccc2c1O |w:31.33,14.16| Show InChI InChI=1S/C36H41N3O6/c1-23-25(35(44)29-13-5-3-11-27(29)33(23)42)15-7-17-31(40)38-21-9-19-37-20-10-22-39-32(41)18-8-16-26-24(2)34(43)28-12-4-6-14-30(28)36(26)45/h3-8,11-16,37,42-45H,9-10,17-22H2,1-2H3,(H,38,40)(H,39,41)	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	1.10E+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