BDBM50093208 2-(5-Bromo-1H-indol-3-yl)-N-[3-(4-{3-[2-(5-bromo-1H-indol-3-yl)-acetylamino]-propylamino}-butylamino)-propyl]-acetamide::CHEMBL76694

SMILES: Brc1ccc2[nH]cc(CC(=O)NCCCNCCCCNCCCNC(=O)Cc3c[nH]c4ccc(Br)cc34)c2c1

InChI Key: InChIKey=PVPRCQOYXLHSFL-UHFFFAOYSA-N

Data: 1 KI

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 = 50093208   

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)	BDBM50093208 (2-(5-Bromo-1H-indol-3-yl)-N-[3-(4-{3-[2-(5-bromo-1...) Show SMILES Brc1ccc2[nH]cc(CC(=O)NCCCNCCCCNCCCNC(=O)Cc3c[nH]c4ccc(Br)cc34)c2c1 Show InChI InChI=1S/C30H38Br2N6O2/c31-23-5-7-27-25(17-23)21(19-37-27)15-29(39)35-13-3-11-33-9-1-2-10-34-12-4-14-36-30(40)16-22-20-38-28-8-6-24(32)18-26(22)28/h5-8,17-20,33-34,37-38H,1-4,9-16H2,(H,35,39)(H,36,40)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Southamton Curated by ChEMBL					Assay Description The compound was evaluated for inhibition of trypanothione reductase enzyme				Bioorg Med Chem Lett 10: 2367-9 (2001) BindingDB Entry DOI: 10.7270/Q2HH6KKC
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