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BDBM50239650 CHEMBL4081230

SMILES: CCC1(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=RZFHBQVCLHSNEV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50239650   
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
SHMT


(Plasmodium falciparum)		BDBM50239650
PNG
(CHEMBL4081230)
Show SMILES CCC1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1ccc(s1)S(=O)(=O)N(C)C |c:12|
Show InChI InChI=1S/C23H22F3N5O3S2/c1-5-22(16(11-27)20(28)34-21-19(22)12(2)29-30-21)14-8-13(9-15(10-14)23(24,25)26)17-6-7-18(35-17)36(32,33)31(3)4/h6-10H,5,28H2,1-4H3,(H,29,30)
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Article
PubMed
n/an/a 340n/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