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SMILES: CN(C)S(=O)(=O)c1ccc(s1)-c1cc(cc(c1)C1(C2CCC2)c2c(C)[nH]nc2OC(N)=C1C#N)C(F)(F)F

InChI Key: InChIKey=WJKPOSBCBQYZTE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50239637   
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)		BDBM50239637
PNG
(CHEMBL4089096)
Show SMILES CN(C)S(=O)(=O)c1ccc(s1)-c1cc(cc(c1)C1(C2CCC2)c2c(C)[nH]nc2OC(N)=C1C#N)C(F)(F)F |c:34|
Show InChI InChI=1S/C25H24F3N5O3S2/c1-13-21-23(32-31-13)36-22(30)18(12-29)24(21,15-5-4-6-15)16-9-14(10-17(11-16)25(26,27)28)19-7-8-20(37-19)38(34,35)33(2)3/h7-11,15H,4-6,30H2,1-3H3,(H,31,32)
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 498n/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