BDBM50096041 4-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-N-[3-(4-methyl-piperazin-1-yl)-propyl]-butyramide::CHEMBL152712

SMILES: CN1CCN(CCCNC(=O)CC=Cc2c(C)c(O)c3cccc(O)c3c2O)CC1

InChI Key: InChIKey=KBGBLRJERWGGEQ-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 = 50096041   

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)	BDBM50096041 (4-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES CN1CCN(CCCNC(=O)CC=Cc2c(C)c(O)c3cccc(O)c3c2O)CC1 |w:12.11| Show InChI InChI=1S/C23H31N3O4/c1-16-17(23(30)21-18(22(16)29)7-3-8-19(21)27)6-4-9-20(28)24-10-5-11-26-14-12-25(2)13-15-26/h3-4,6-8,27,29-30H,5,9-15H2,1-2H3,(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20E+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