BDBM50352509 CHEMBL1824848

SMILES: CCn1c(SCC(=O)Nc2ccc(cc2)C2CCCCC2)ncc1-c1ccccc1

InChI Key: InChIKey=VFXCOMJJWDHKBY-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 = 50352509   

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)	BDBM50352509 (CHEMBL1824848) Show SMILES CCn1c(SCC(=O)Nc2ccc(cc2)C2CCCCC2)ncc1-c1ccccc1 Show InChI InChI=1S/C25H29N3OS/c1-2-28-23(21-11-7-4-8-12-21)17-26-25(28)30-18-24(29)27-22-15-13-20(14-16-22)19-9-5-3-6-10-19/h4,7-8,11-17,19H,2-3,5-6,9-10,18H2,1H3,(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi TryR using trypanothione as substrate preincubated for 10 mins				Bioorg Med Chem Lett 21: 5255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.07.036 BindingDB Entry DOI: 10.7270/Q2ZP46HX
					More data for this Ligand-Target Pair