BDBM50408514 CHEMBL40008

SMILES: CN(C)CCCN1c2ccccc2Sc2ccc(CO)cc12

InChI Key: InChIKey=AOXRVHBNXWWFHO-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 = 50408514   

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)	BDBM50408514 (CHEMBL40008) Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(CO)cc12 Show InChI InChI=1S/C18H22N2OS/c1-19(2)10-5-11-20-15-6-3-4-7-17(15)22-18-9-8-14(13-21)12-16(18)20/h3-4,6-9,12,21H,5,10-11,13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase				J Med Chem 41: 148-56 (1998) Article DOI: 10.1021/jm960814j BindingDB Entry DOI: 10.7270/Q2ZP457X
					More data for this Ligand-Target Pair