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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycine hydroxymethyltransferase' and Ligand = 'BDBM50239654'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Glycine hydroxymethyltransferase


(Plasmodium falciparum)		BDBM50239654
PNG
(CHEMBL4104071)
Show SMILES COc1ccc(cc1C(O)=O)-c1cc(cc(c1)C1(C(C)C)c2c(C)[nH]nc2OC(N)=C1C#N)C(F)(F)F |c:32|
Show InChI InChI=1S/C26H23F3N4O4/c1-12(2)25(19(11-30)22(31)37-23-21(25)13(3)32-33-23)16-7-15(8-17(10-16)26(27,28)29)14-5-6-20(36-4)18(9-14)24(34)35/h5-10,12H,31H2,1-4H3,(H,32,33)(H,34,35)
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 77n/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