BDBM50096496 CHEMBL62048::N,N'-Bis-(3-amino-propyl)-N,N'-bis-(3-phenyl-propyl)-butane-1,4-diamine::N1,N4-bis(3-aminopropyl)-N1,N4-bis(3-phenylpropyl)butane-1,4-diamine
SMILES: NCCCN(CCCCN(CCCN)CCCc1ccccc1)CCCc1ccccc1
InChI Key: InChIKey=YUQMYWBOSYVNIO-UHFFFAOYSA-N
Data: 2 KI
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) | BDBM50096496 (CHEMBL62048 | N,N'-Bis-(3-amino-propyl)-N,N'-bis-(...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana State University Curated by ChEMBL | Assay Description Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi | Bioorg Med Chem Lett 11: 251-4 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VVV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypanothione reductase (Trypanosoma cruzi) | BDBM50096496 (CHEMBL62048 | N,N'-Bis-(3-amino-propyl)-N,N'-bis-(...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for the competitive inhibition of trypanothione reduction by recombinant Trypanothione reductase from Trypanosoma cruzi | Bioorg Med Chem Lett 5: 1957-1960 (1995) Article DOI: 10.1016/0960-894X(95)00331-M BindingDB Entry DOI: 10.7270/Q2TD9XB8 | |||||||||||
More data for this Ligand-Target Pair |