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BDBM50239671 CHEMBL4063186

SMILES: CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1ccc(s1)S(=O)(=O)N(C)C

InChI Key: InChIKey=UWTRFJZKBCFVRC-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50239671   
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
Glycine hydroxymethyltransferase


(Plasmodium falciparum)		BDBM50239671
PNG
(CHEMBL4063186)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1ccc(s1)S(=O)(=O)N(C)C |c:13|
Show InChI InChI=1S/C24H24F3N5O3S2/c1-12(2)23(17(11-28)21(29)35-22-20(23)13(3)30-31-22)15-8-14(9-16(10-15)24(25,26)27)18-6-7-19(36-18)37(33,34)32(4)5/h6-10,12H,29H2,1-5H3,(H,30,31)
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UniChem

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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay

J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair