BDBM50041176 2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid::CHEMBL278515

SMILES CN(Cc1coc2nc(N)nc(N)c12)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O

InChI Key InChIKey=WXINNGCGSCFUCR-UHFFFAOYSA-N

Data  12 IC50

PDB links: 4 PDB IDs match this monomer.

  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 12 hits for monomerid = 50041176   

TargetThymidylate synthase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50041176(2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibitory concentration for TS in Lactobacillus caseiMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThymidylate synthase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50041176(2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibitory concentration for TS in humanMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50041176(2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...)
Affinity DataIC50: 220nMAssay Description:Inhibitory concentration for DHFR in Lactobacillus caseiMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Rat)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50041176(2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...)
Affinity DataIC50: 430nMAssay Description:Inhibitory concentration for DHFR in rat liverMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50041176(2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...)
Affinity DataIC50: 1.98E+4nMAssay Description:Inhibitory concentration for DHFR in Toxoplasma gondiiMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional purine biosynthesis protein ATIC(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50041176(2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibitory concentration against Lactobacillus casei AICAR formyltransferaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50041176(2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...)
Affinity DataIC50: 220nMAssay Description:Inhibitory concentration for DHFR in recombinant humanMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Pneumocystis carinii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50041176(2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...)
Affinity DataIC50: 35nMAssay Description:Inhibitory concentration for DHFR in Pneumocystis cariniiMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetTrifunctional purine biosynthetic protein adenosine-3(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50041176(2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibitory concentration in glycinamide ribonucleotide formyltransferase (GARFT) Lactobacillus caseiMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Pneumocystis carinii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50041176(2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...)
Affinity DataIC50: 35nMAssay Description:Inhibition of Pneumocystis carinii dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Rat)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50041176(2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...)
Affinity DataIC50: 430nMAssay Description:Inhibition of Dihydrofolate reductase of rat liverMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50041176(2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...)
Affinity DataIC50: 1.98E+4nMAssay Description:Inhibition of Toxoplasma gondii Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed