BDBM22590 (2S)-2-[(4-{2-[(6R)-2-amino-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-6-yl]ethyl}phenyl)formamido]pentanedioic acid::5,10-dideazatetrahydrofolic acid::DDATHF::DDF::Lometrexol

SMILES Nc1nc2NC[C@H](CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1

InChI Key InChIKey=ZUQBAQVRAURMCL-UHFFFAOYSA-N

Data  8 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 22590   

TargetTrifunctional purine biosynthetic protein adenosine-3(Human)
The Scripps Research Institute

LigandChemical structure of BindingDB Monomer ID 22590BDBM22590(5,10-dideazatetrahydrofolic acid | DDF | (2S)-2-[(...)
Affinity DataKi:  60nM ΔG°:  -9.88kcal/molepH: 7.5 T: 2°CAssay Description:Assays were initiated by the addition of GAR to the reaction mixture containing GAR Tfase, test compounds, and cofactor. The assay monitors the defor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2008
Entry Details Article
PubMed
TargetTrifunctional purine biosynthetic protein adenosine-3(Human)
The Scripps Research Institute

LigandChemical structure of BindingDB Monomer ID 22590BDBM22590(5,10-dideazatetrahydrofolic acid | DDF | (2S)-2-[(...)
Affinity DataKi:  60nM ΔG°:  -9.88kcal/molepH: 7.5 T: 2°CAssay Description:Assays were initiated by the addition of GAR to the reaction mixture containing GAR Tfase, test compounds, and cofactor. The assay monitors the defor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/29/2008
Entry Details Article
PubMed
TargetPhosphoribosylglycinamide formyltransferase(Escherichia coli (strain K12))
The Scripps Research Institute

LigandChemical structure of BindingDB Monomer ID 22590BDBM22590(5,10-dideazatetrahydrofolic acid | DDF | (2S)-2-[(...)
Affinity DataKi:  100nM ΔG°:  -9.57kcal/molepH: 7.5 T: 2°CAssay Description:Assays were initiated by the addition of GAR to the reaction mixture containing GAR Tfase, test compounds, and cofactor. The assay monitors the defor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2008
Entry Details Article
PubMed
TargetBifunctional purine biosynthesis protein ATIC(Human)
The Scripps Research Institute

LigandChemical structure of BindingDB Monomer ID 22590BDBM22590(5,10-dideazatetrahydrofolic acid | DDF | (2S)-2-[(...)
Affinity DataKi: >1.00E+5nM ΔG°: >-5.47kcal/molepH: 7.4 T: 2°CAssay Description:Recombinant human AICAR Tfase was used in the inhibition assay. The reaction was monitored at 298 nm by measuring the increase in absorbance correspo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/29/2008
Entry Details Article
PubMed