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SMILES: Clc1ccc2Sc3ccccc3N(C(=O)CCC(=O)NNc3ccccc3)c2c1

InChI Key: InChIKey=SSEJIIAGSSQKES-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50408501   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50408501
PNG
(CHEMBL39288)
Show SMILES Clc1ccc2Sc3ccccc3N(C(=O)CCC(=O)NNc3ccccc3)c2c1
Show InChI InChI=1S/C22H18ClN3O2S/c23-15-10-11-20-18(14-15)26(17-8-4-5-9-19(17)29-20)22(28)13-12-21(27)25-24-16-6-2-1-3-7-16/h1-11,14,24H,12-13H2,(H,25,27)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.51E+5n/an/an/an/an/an/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