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BDBM50239644 CHEMBL4082315

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

InChI Key: InChIKey=RZAJXRCVISAWDB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50239644   
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)		BDBM50239644
PNG
(CHEMBL4082315)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(OC(F)(F)F)cc(c1)-c1ccc(Cl)s1 |c:13|
Show InChI InChI=1S/C22H18ClF3N4O2S/c1-10(2)21(15(9-27)19(28)31-20-18(21)11(3)29-30-20)13-6-12(16-4-5-17(23)33-16)7-14(8-13)32-22(24,25)26/h4-8,10H,28H2,1-3H3,(H,29,30)
PDB

UniProtKB/TrEMBL

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UniChem

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Article
PubMed
n/an/a 3.76E+3n/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