BDBM50008294 2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl)(prop-2-ynyl)amino)benzamido)pentanedioic acid::2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid::2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid::2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid (PDDF)::2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid(N10-propargyl-5,8-dideazafolate, PDDF)::2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid(PDDF)::CHEMBL422395::PDDF

SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1

InChI Key InChIKey=LTKHPMDRMUCUEB-UHFFFAOYSA-N

Data  9 KI  33 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 42 hits for monomerid = 50008294   

TargetThymidylate synthase(Escherichia coli)
Agouron Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataKi:  3nMAssay Description:Inhibition of Thymidylate synthase of E. coli (Ki)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataKi:  4.5nMAssay Description:Binding affinity was evaluated against thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Parke-Davis Pharmaceutical Research Division

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataKi:  4.5nMAssay Description:Binding affinity of the compound against human thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Parke-Davis Pharmaceutical Research Division

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataKi:  12nMAssay Description:Inhibition of human Thymidylate synthase (Ki)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Mus musculus (Mouse))
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataKi:  14nMAssay Description:Binding affinity was evaluated against dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataKi:  20nMAssay Description:Tested for inhibitory activity against thymidylate synthase of L1210 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Rattus norvegicus (rat))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataKi:  75nMAssay Description:Compound was evaluated for the inhibition of partially purified rat liver Dihydrofolate reductase(DHFR) enzyme.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Escherichia coli)
Università

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataKi:  95nMAssay Description:In vitro inhibition of Lactobacillus casei Thymidylate synthase.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataKi:  6.00E+3nMAssay Description:Inhibition of GAR transformylase isolated from murine lymphoma cell line L5178YMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Parke-Davis Pharmaceutical Research Division

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  36nMAssay Description:Inhibitory activity against thymidylate Synthase from human recombinant sourcesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  8.30E+3nMAssay Description:Evaluated for the inhibition of thymidylate synthesis in intact L1210 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Mus musculus (Mouse))
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  7.00E+3nMAssay Description:The compound was evaluated in vitro for inhibition of purified L1210 dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Escherichia coli)
Agouron Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  19nMAssay Description:Inhibition of Escherichia coli thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Mus musculus (Mouse))
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  6.60E+3nMAssay Description:Inhibitory activity against dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  22nMAssay Description:Inhibitory activity against dihydrofolate reductase derived from Lactobacillus caseiMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  2.20E+4nMAssay Description:Inhibitory activity against the thymidylate synthase in the Permeabilized L1210 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  7.20E+3nMAssay Description:Tested for 50% inhibition of WI-L2 Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  50nMAssay Description:The compound was not tested for inhibition of L1210 Thymidylate synthase due to insolubilityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Parke-Davis Pharmaceutical Research Division

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  100nMAssay Description:Inhibitory concentration against Escherichia coli Thymidylate synthase (TS).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Parke-Davis Pharmaceutical Research Division

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  150nMAssay Description:Inhibitory concentration against recombinant human (rh) Thymidylate synthase (TS)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Rattus norvegicus)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  360nMAssay Description:Inhibitory concentration against rat Thymidylate synthase (TS)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Parke-Davis Pharmaceutical Research Division

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  55nMAssay Description:Inhibitory concentration against Lactobacillus casei Thymidylate synthase (TS).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Parke-Davis Pharmaceutical Research Division

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  85nMAssay Description:Inhibition of human thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  430nMAssay Description:Inhibition of Toxoplasma gondii thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  1.90E+3nMAssay Description:Inhibition of human recombinant DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  2.30E+4nMAssay Description:Inhibition of Escherichia coli DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  2.20E+4nMAssay Description:Concentration required for 50% inhibition against dihydrofolate reductase of S. faeciumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Parke-Davis Pharmaceutical Research Division

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  85nMAssay Description:Inhibition of human thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  430nMAssay Description:Inhibition of Toxoplasma gondii thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  28nMAssay Description:Evaluated for the inhibition of thymidylate synthase in intact L1210 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  8.20E+3nMAssay Description:Inhibitory activity against thymidylate synthase in the intact L1210 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  20nMAssay Description:Inhibitory activity against thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  300nMAssay Description:Concentration required for 50% inhibition against dihydrofolate reductase of S. faeciumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  36nMAssay Description:Inhibitory activity against thymidylate Synthase from Lactobacillus caseiMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  13nMAssay Description:Inhibitory activity against thymidylate synthase derived from Lactobacillus caseiMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  4.90E+3nMAssay Description:Inhibition of dihydrofolate reductase in Lactobacillus caseiMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Parke-Davis Pharmaceutical Research Division

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  10nMAssay Description:Inhibition of pure human thymidyllate synthase from extract of Manca human lymphoma cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  21nMAssay Description:Inhibition of thymidyllate synthase in Lactobacillus caseiMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  20nMAssay Description:Inhibitory concentration of compound to inhibit Thymidylate synthase (TS) in L1210 cells at conc. of 200 microMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  21nMAssay Description:Evaluated for the inhibition of thymidylate synthase in L. caseiMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  4.90E+3nMAssay Description:Evaluated for the inhibition of dihydrofolate reductase in L. caseiMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Affinity DataIC50:  220nMAssay Description:Inhibition of Toxoplasma gondii DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed