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SMILES: CCOC(=O)[C@@H]1CSC(N1C(=O)c1cn(CCc2ccc(F)cc2)nn1)c1ccccc1

InChI Key: InChIKey=DOCSJDBYXHTTJF-AIBWNMTMSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50377327   
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
Probable flavin-dependent thymidylate synthase


(Paramecium bursaria Chlorella virus 1)		BDBM50377327
PNG
(CHEMBL402148)
Show SMILES CCOC(=O)[C@@H]1CSC(N1C(=O)c1cn(CCc2ccc(F)cc2)nn1)c1ccccc1 |w:8.28|
Show InChI InChI=1S/C23H23FN4O3S/c1-2-31-23(30)20-15-32-22(17-6-4-3-5-7-17)28(20)21(29)19-14-27(26-25-19)13-12-16-8-10-18(24)11-9-16/h3-11,14,20,22H,2,12-13,15H2,1H3/t20-,22?/m0/s1
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Similars
Article
PubMed
 2.00E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Paris

Curated by ChEMBL


Assay Description
Inhibition of PBCV1 Thymidylate synthase X

Bioorg Med Chem Lett 18: 3628-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.080
BindingDB Entry DOI: 10.7270/Q2N87BNK
More data for this
Ligand-Target Pair