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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bifunctional purine biosynthesis protein ATIC' and Ligand = 'BDBM50243414'   
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


(Homo sapiens (Human))
BDBM50243414
PNG
(CHEMBL4084757)
Show SMILES Fc1cc2cc[nH]c(=O)c2cc1NS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C16H10FN3O3S/c17-14-7-11-5-6-19-16(21)13(11)8-15(14)20-24(22,23)12-3-1-10(9-18)2-4-12/h1-8,20H,(H,19,21)
PDB
MMDB

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PC cid
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Similars

Article
PubMed
n/an/a 723n/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
Bifunctional purine biosynthesis protein ATIC


(Homo sapiens (Human))
BDBM50243414
PNG
(CHEMBL4084757)
Show SMILES Fc1cc2cc[nH]c(=O)c2cc1NS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C16H10FN3O3S/c17-14-7-11-5-6-19-16(21)13(11)8-15(14)20-24(22,23)12-3-1-10(9-18)2-4-12/h1-8,20H,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.81E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of AICARFT in human NCI-H460 cells assessed as increase in ZMP levels using low folate media after 16 hrs by LC-MS method


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