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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional purine biosynthesis protein ATIC/Thymidylate synthase/Trifunctional purine biosynthetic protein adenosine-3' and Ligand = 'BDBM50277352'   
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
Bifunctional purine biosynthesis protein ATIC/Thymidylate synthase/Trifunctional purine biosynthetic protein adenosine-3


(Homo sapiens (Human))		BDBM50277352
PNG
(CHEMBL4162649)
Show SMILES Nc1nc2[nH]c(CC(=O)NCCCCCC(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C19H26N6O7/c20-19-24-16-11(17(30)25-19)8-10(22-16)9-14(27)21-7-3-1-2-4-13(26)23-12(18(31)32)5-6-15(28)29/h8,12H,1-7,9H2,(H,21,27)(H,23,26)(H,28,29)(H,31,32)(H4,20,22,24,25,30)/t12-/m0/s1
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Similars
Article
PubMed
n/an/a 0.140n/an/an/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Inhibition of TS/AICARFTase/GARFTase in human KB cells assessed as reduction in cell proliferation in folate free medium after 72 hrs in presence of ...

Eur J Med Chem 139: 531-541 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.032
BindingDB Entry DOI: 10.7270/Q2WW7M6F
More data for this
Ligand-Target Pair