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SMILES: COC(=O)c1cc2nc(SCC(=O)Nc3ncc(s3)[N+]([O-])=O)[nH]c2cc1Cl

InChI Key: InChIKey=BPZPPMXJWIPQSY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50534545   
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)		BDBM50534545
PNG
(CHEMBL4576576)
Show SMILES COC(=O)c1cc2nc(SCC(=O)Nc3ncc(s3)[N+]([O-])=O)[nH]c2cc1Cl
Show InChI InChI=1S/C14H10ClN5O5S2/c1-25-12(22)6-2-8-9(3-7(6)15)18-14(17-8)26-5-10(21)19-13-16-4-11(27-13)20(23)24/h2-4H,5H2,1H3,(H,17,18)(H,16,19,21)
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PC cid
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UniChem
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PubMed
n/an/a 7.70E+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