BDBM50096044 2-{3-[4-(3-Amino-propyl)-piperazin-1-yl]-propylamino}-3-methyl-[1,4]naphthoquinone::CHEMBL152394

SMILES: Cc1c(O)c2ccccc2c(O)c1N=CCCN1CCN(CCCN)CC1

InChI Key: InChIKey=SSSFGGFYOBMYPA-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 = 50096044   

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)	BDBM50096044 (2-{3-[4-(3-Amino-propyl)-piperazin-1-yl]-propylami...) Show SMILES Cc1c(O)c2ccccc2c(O)c1N=CCCN1CCN(CCCN)CC1 |w:14.16| Show InChI InChI=1S/C21H30N4O2/c1-16-19(21(27)18-7-3-2-6-17(18)20(16)26)23-9-5-11-25-14-12-24(13-15-25)10-4-8-22/h2-3,6-7,9,26-27H,4-5,8,10-15,22H2,1H3	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	6.00E+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