BDBM50421520 CHEMBL40165

SMILES: CSc1ccc(\C=N\NC(=O)c2cccc(C)c2O)s1

InChI Key: InChIKey=NDDVXEQYZNFRGJ-OVCLIPMQSA-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 = 50421520   

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
Cruzipain (Trypanosoma cruzi)	BDBM50421520 (CHEMBL40165) Show SMILES CSc1ccc(\C=N\NC(=O)c2cccc(C)c2O)s1 Show InChI InChI=1S/C14H14N2O2S2/c1-9-4-3-5-11(13(9)17)14(18)16-15-8-10-6-7-12(19-2)20-10/h3-8,17H,1-2H3,(H,16,18)/b15-8+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair