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BDBM50400476 CHEMBL2178502

SMILES: Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccccc3)O2)c(=O)[nH]c1=O

InChI Key: InChIKey=IMRCZGWULGVRBP-MJBXVCDLSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50400476   
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
Thymidylate kinase, putative


(Plasmodium falciparum (isolate 3D7))		BDBM50400476
PNG
(CHEMBL2178502)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccccc3)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H20N4O5/c1-10-9-21(17(25)20-15(10)23)14-7-12(22)13(26-14)8-18-16(24)19-11-5-3-2-4-6-11/h2-6,9,12-14,22H,7-8H2,1H3,(H2,18,19,24)(H,20,23,25)/t12-,13+,14-/m0/s1
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KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.66E+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