BDBM50005518 (S)-2-(4-(2-((R)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl)ethyl)benzamido)pentanedioic acid::(S)-2-(4-(2-((R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl)ethyl)benzamido)pentanedioic acid::(S)-2-{(R)-4-[2-((R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::(S)-2-{(R)-4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::(S)-2-{(S)-4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::(S)-2-{4-[2-((R)-2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::(S)-2-{4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::2-{4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::CHEMBL142806::LOMETREXOL

SMILES Nc1nc2NCC(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1

InChI Key InChIKey=ZUQBAQVRAURMCL-UHFFFAOYSA-N

Data  2 KI  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50005518   

TargetTrifunctional purine biosynthetic protein adenosine-3(Human)
Wellcome Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50005518(CHEMBL142806 | (S)-2-{(R)-4-[2-((R)-2-Amino-4-oxo-...)
Affinity DataIC50: 220nMAssay Description:Ability to inhibit glycinamide ribonucleotide transformylase (GAR-Tfase) in vitro, using hog liver with (6R)-10-formyl-FH4 as cofactorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetTrifunctional purine biosynthetic protein adenosine-3(Mouse)
Wayne State University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50005518(CHEMBL142806 | (S)-2-{(R)-4-[2-((R)-2-Amino-4-oxo-...)
Affinity DataIC50: 780nMAssay Description:Inhibition of mouse recombinant GARFTaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2012
Entry Details Article
PubMed
TargetTrifunctional purine biosynthetic protein adenosine-3(Human)
Wellcome Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50005518(CHEMBL142806 | (S)-2-{(R)-4-[2-((R)-2-Amino-4-oxo-...)
Affinity DataIC50: 14nMAssay Description:Inhibition of GARFTase in human KB cells assessed as inhibition of [14C]glycine incorporation into [14C]formylGAR in presence of azaserineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2012
Entry Details Article
PubMed
TargetTrifunctional purine biosynthetic protein adenosine-3(Mouse)
Wayne State University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50005518(CHEMBL142806 | (S)-2-{(R)-4-[2-((R)-2-Amino-4-oxo-...)
Affinity DataIC50: 780nMAssay Description:Inhibition of mouse recombinant GARFtase assessed as FGAR formation by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2012
Entry Details Article
PubMed
TargetTrifunctional purine biosynthetic protein adenosine-3(Human)
Wellcome Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50005518(CHEMBL142806 | (S)-2-{(R)-4-[2-((R)-2-Amino-4-oxo-...)
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibition of GARFtase in human KB cells assessed as [14C]glycine incorporation in to [14C]FGAR in folate free RPMI medium with 2 nM LCV by in-situas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2012
Entry Details Article
PubMed
TargetTrifunctional purine biosynthetic protein adenosine-3(Human)
Wellcome Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50005518(CHEMBL142806 | (S)-2-{(R)-4-[2-((R)-2-Amino-4-oxo-...)
Affinity DataIC50: 5.77nMAssay Description:Inhibition of GARFTase in human IGROV1 cells assessed as reduction in [14C]glycine incorporation into [14C]formyl GAR incubated for 15 hrs in complet...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetTrifunctional purine biosynthetic protein adenosine-3(Human)
Wellcome Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50005518(CHEMBL142806 | (S)-2-{(R)-4-[2-((R)-2-Amino-4-oxo-...)
Affinity DataKi:  60nMAssay Description:Inhibition of human recombinant GAR TfaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2012
Entry Details Article
PubMed
TargetBifunctional purine biosynthesis protein ATIC(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50005518(CHEMBL142806 | (S)-2-{(R)-4-[2-((R)-2-Amino-4-oxo-...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human recombinant AICAR TfaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2012
Entry Details Article
PubMed