BDBM50092652 2-{4-[2-(2-Amino-7-benzyl-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-pentanedioic acid::CHEMBL124256

SMILES Cc1nc(N)nc2n(Cc3ccccc3)cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c12

InChI Key InChIKey=XYVUDAYNSCLZJK-UHFFFAOYSA-N

Data  9 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 9 hits for monomerid = 50092652   

TargetDihydrofolate reductase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50092652(2-{4-[2-(2-Amino-7-benzyl-4-methyl-7H-pyrrolo[2,3-...)
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibitory concentration against isolated human Dihydrofolate reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2012
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50092652(2-{4-[2-(2-Amino-7-benzyl-4-methyl-7H-pyrrolo[2,3-...)
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibitory concentration against isolated Escherichia coli Thymidylate synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2012
Entry Details Article
PubMed
TargetThymidylate synthase(Rat)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50092652(2-{4-[2-(2-Amino-7-benzyl-4-methyl-7H-pyrrolo[2,3-...)
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibitory concentration against isolated rat thymidylate synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2012
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50092652(2-{4-[2-(2-Amino-7-benzyl-4-methyl-7H-pyrrolo[2,3-...)
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibitory concentration against isolated Thymidylate synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50092652(2-{4-[2-(2-Amino-7-benzyl-4-methyl-7H-pyrrolo[2,3-...)
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibitory concentration against isolated Toxoplasma gondii DHFR (dihydrofolate reductase)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50092652(2-{4-[2-(2-Amino-7-benzyl-4-methyl-7H-pyrrolo[2,3-...)
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibitory concentration against isolated Escherichia coli Dihydrofolate reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50092652(2-{4-[2-(2-Amino-7-benzyl-4-methyl-7H-pyrrolo[2,3-...)
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibitory concentration against isolated Lactobacillus casei Dihydrofolate reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2012
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50092652(2-{4-[2-(2-Amino-7-benzyl-4-methyl-7H-pyrrolo[2,3-...)
Affinity DataIC50: 310nMAssay Description:Inhibitory concentration against isolated Lactobacillus casei Thymidylate synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50092652(2-{4-[2-(2-Amino-7-benzyl-4-methyl-7H-pyrrolo[2,3-...)
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibitory concentration against isolated Pneumocystis carinii DHFR (Dihydrofolate reductase)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2012
Entry Details Article
PubMed