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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50377323   
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
Probable flavin-dependent thymidylate synthase


(Paramecium bursaria Chlorella virus 1)		BDBM50377323
PNG
(CHEMBL255717)
Show SMILES CCCCCCC(=O)N(C[C@@H]1CSC(N1C(=O)c1ccccc1)c1ccccc1)CC(O)=O |w:13.24|
Show InChI InChI=1S/C26H32N2O4S/c1-2-3-4-11-16-23(29)27(18-24(30)31)17-22-19-33-26(21-14-9-6-10-15-21)28(22)25(32)20-12-7-5-8-13-20/h5-10,12-15,22,26H,2-4,11,16-19H2,1H3,(H,30,31)/t22-,26?/m1/s1
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/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