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SMILES: Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccccc3Cl)O2)c(=O)[nH]c1=O

InChI Key: InChIKey=NGRLUSZMVSUMTL-MJBXVCDLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50400475   
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
dTMP kinase


(Plasmodium falciparum (isolate 3D7))		BDBM50400475
PNG
(CHEMBL2178503)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccccc3Cl)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H19ClN4O5/c1-9-8-22(17(26)21-15(9)24)14-6-12(23)13(27-14)7-19-16(25)20-11-5-3-2-4-10(11)18/h2-5,8,12-14,23H,6-7H2,1H3,(H2,19,20,25)(H,21,24,26)/t12-,13+,14-/m0/s1
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MMDB

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UniChem

Similars
Article
PubMed
 2.05E+5n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay

J Med Chem 55: 10948-57 (2012)


Article DOI: 10.1021/jm301328h
BindingDB Entry DOI: 10.7270/Q2H1334S
More data for this
Ligand-Target Pair