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SMILES: COC(=O)c1cc2nc(SCC(=O)Nc3cnccn3)[nH]c2cc1Cl

InChI Key: InChIKey=GSTNPNQEANEZKC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50534546   
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
Triosephosphate isomerase, glycosomal


(Trypanosoma cruzi)		BDBM50534546
PNG
(CHEMBL4462472)
Show SMILES COC(=O)c1cc2nc(SCC(=O)Nc3cnccn3)[nH]c2cc1Cl
Show InChI InChI=1S/C15H12ClN5O3S/c1-24-14(23)8-4-10-11(5-9(8)16)20-15(19-10)25-7-13(22)21-12-6-17-2-3-18-12/h2-6H,7H2,1H3,(H,19,20)(H,18,21,22)
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PC cid
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UniChem
Article
PubMed
n/an/a 8.20E+4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi triosephosphate isomerase assessed as reduction of DHAP after 2 hrs by measuring NADH consumption by alph...

Bioorg Med Chem Lett 26: 4377-81 (2016)


Article DOI: 10.1016/j.bmcl.2015.08.018
BindingDB Entry DOI: 10.7270/Q2R78JQX
More data for this
Ligand-Target Pair