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SMILES: CN(C)CCCN1c2cc(Cl)ccc2Sc2ccc(cc12)C(C)=O

InChI Key: InChIKey=WOHMPUKKGWWWPQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50408500   
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)		BDBM50408500
PNG
(CHEMBL38682)
Show SMILES CN(C)CCCN1c2cc(Cl)ccc2Sc2ccc(cc12)C(C)=O
Show InChI InChI=1S/C19H21ClN2OS/c1-13(23)14-5-7-18-16(11-14)22(10-4-9-21(2)3)17-12-15(20)6-8-19(17)24-18/h5-8,11-12H,4,9-10H2,1-3H3
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Similars
Article
PubMed
n/an/a 1.75E+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