BDBM50096059 4-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-N-(3-{3-[4-(8-hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-butyrylamino]-propylamino}-propyl)-butyramide::CHEMBL152534

SMILES: Cc1c(O)c2cccc(O)c2c(O)c1C=CCC(=O)NCCCNCCCNC(=O)CC=Cc1c(C)c(O)c2cccc(O)c2c1O

InChI Key: InChIKey=QQZKBOUSDJZIMG-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 = 50096059   

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)	BDBM50096059 (4-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCC(=O)NCCCNCCCNC(=O)CC=Cc1c(C)c(O)c2cccc(O)c2c1O |w:32.34,15.17| Show InChI InChI=1S/C36H41N3O8/c1-21-23(35(46)31-25(33(21)44)11-3-13-27(31)40)9-5-15-29(42)38-19-7-17-37-18-8-20-39-30(43)16-6-10-24-22(2)34(45)26-12-4-14-28(41)32(26)36(24)47/h3-6,9-14,37,40-41,44-47H,7-8,15-20H2,1-2H3,(H,38,42)(H,39,43)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+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