BDBM50030819 (S)-2-(4-(2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioic acid::(S)-2-{4-[2-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-pentanedioic acid::(S)-2-{4-[3-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl)-propyl]-benzoylamino}-pentanedioic acid::2-{4-[2-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-pentanedioic acid::CHEMBL323565::N-[4-[2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid

SMILES Nc1nc(N)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)coc2n1

InChI Key InChIKey=XMILWEOSKUGJJX-ZDUSSCGKSA-N

Data  18 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50030819   

TargetDihydrofolate reductase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50030819((S)-2-(4-(2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)...)
Affinity DataIC50:  100nMAssay Description:Inhibitory concentration of the compound against Lactobacillus casei DHFR(Dihydro folate reductase).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50030819((S)-2-(4-(2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)...)
Affinity DataIC50:  220nMpH: 7.4Assay Description:Inhibition of human DHFR at 30 degC under pH 7.4 by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50030819((S)-2-(4-(2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)...)
Affinity DataIC50:  2.00E+5nMAssay Description:Inhibitory concentration of the compound against Lactobacillus casei TS (Thymidylate synthase).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50030819((S)-2-(4-(2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)...)
Affinity DataIC50:  2.20E+5nMAssay Description:Inhibitory concentration of the compound against recombinant human TS (Thymidylate synthase)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50030819((S)-2-(4-(2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)...)
Affinity DataIC50:  100nMAssay Description:Inhibitory concentration of the compound against Lactobacillus casei DHFR(Dihydro folate reductase).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50030819((S)-2-(4-(2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)...)
Affinity DataIC50:  2.20E+5nMAssay Description:Inhibitory concentration against recombinant human (rh) Thymidylate synthase (TS)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50030819((S)-2-(4-(2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)...)
Affinity DataIC50:  2.00E+5nMAssay Description:Inhibitory concentration against Lactobacillus casei Thymidylate synthase (TS).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50030819((S)-2-(4-(2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)...)
Affinity DataIC50:  100nMAssay Description:Inhibitory concentration against Lactobacillus casei Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50030819((S)-2-(4-(2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibitory concentration against recombinant human (rh) Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50030819((S)-2-(4-(2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)...)
Affinity DataIC50:  100nMpH: 7.4Assay Description:Inhibition of Lactobacillus casei dihydrofolate reductase at 37 degree C pH 7.4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50030819((S)-2-(4-(2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)...)
Affinity DataIC50:  2.20E+5nMpH: 7.4Assay Description:Inhibition of human thymidylate synthetase at 37 degree C pH 7.4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50030819((S)-2-(4-(2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)...)
Affinity DataIC50:  1.00E+3nMpH: 7.4Assay Description:Inhibition of human dihydrofolate reductase at 37 degree C pH 7.4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50030819((S)-2-(4-(2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)...)
Affinity DataIC50:  100nMAssay Description:Inhibition of Lactobacillus casei DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50030819((S)-2-(4-(2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)...)
Affinity DataIC50:  2.20E+5nMAssay Description:Inhibition of human recombinant thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50030819((S)-2-(4-(2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of human recombinant DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50030819((S)-2-(4-(2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)...)
Affinity DataIC50:  2.00E+5nMAssay Description:Inhibition of Lactobacillus casei thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50030819((S)-2-(4-(2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)...)
Affinity DataIC50: >2.00E+5nMpH: 7.4Assay Description:Inhibition of human thymidylate synthase at 30 degC under pH 7.4 by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50030819((S)-2-(4-(2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibitory concentration of the compound against recombinant human DHFR(Dihydro folate reductase).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed