BDBM50130310 CHEMBL3633038

SMILES: [Cl-].C[N+](C)(CCCNc1cc(F)ccc1Nc1ccc(cc1)S(F)(F)(F)(F)F)Cc1ccc(Cl)cc1Cl

InChI Key: InChIKey=ANBFVDYQROKOHW-UHFFFAOYSA-M

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 = 50130310   

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)	BDBM50130310 (CHEMBL3633038) Show SMILES [Cl-].C[N+](C)(CCCNc1cc(F)ccc1Nc1ccc(cc1)S(F)(F)(F)(F)F)Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H26Cl2F6N3S.ClH/c1-35(2,16-17-4-5-18(25)14-22(17)26)13-3-12-33-24-15-19(27)6-11-23(24)34-20-7-9-21(10-8-20)36(28,29,30,31)32;/h4-11,14-15,33-34H,3,12-13,16H2,1-2H3;1H/q+1;/p-1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Competitive inhibition of recombinant Trypanosoma cruzi Trypanothione reductase by photometric assay				J Med Chem 58: 8315-59 (2015) BindingDB Entry DOI: 10.7270/Q22J6DPZ
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