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SMILES: Nc1nc2ccc(NS(=O)(=O)c3ccc(cc3)C#N)cc2c(=O)[nH]1

InChI Key: InChIKey=KHPJKUWEOKANQU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50243413   
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
Bifunctional purine biosynthesis protein ATIC


(Homo sapiens (Human))		BDBM50243413
PNG
(CHEMBL4077027)
Show SMILES Nc1nc2ccc(NS(=O)(=O)c3ccc(cc3)C#N)cc2c(=O)[nH]1
Show InChI InChI=1S/C15H11N5O3S/c16-8-9-1-4-11(5-2-9)24(22,23)20-10-3-6-13-12(7-10)14(21)19-15(17)18-13/h1-7,20H,(H3,17,18,19,21)
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Article
PubMed
n/an/a 1.81E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal His-tagged AICARFT expressed in Escherichia coli BL21 (DE3) using ZMP/10-formyltetrahydrofolate as substra...

J Med Chem 60: 9599-9616 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01046
BindingDB Entry DOI: 10.7270/Q2222X6J
More data for this
Ligand-Target Pair