null

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

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 42 hits for monomerid = 50008294   

TargetThymidylate synthase(Escherichia coli)
Agouron Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
Affinity DataKi:  3nMAssay Description:Inhibition of Thymidylate synthase of E. coli (Ki)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q25Q4V1QPubMed
TargetThymidylate synthase(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
Affinity DataKi:  4.5nMAssay Description:Binding affinity was evaluated against thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2348JDZPubMed
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...)copy SMILEScopy InChI
Affinity DataKi:  4.5nMAssay Description:Binding affinity of the compound against human thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2RN36SXPubMed
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...)copy SMILEScopy InChI
Affinity DataKi:  12nMAssay Description:Inhibition of human Thymidylate synthase (Ki)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q25Q4V1QPubMed
TargetDihydrofolate reductase(Mus musculus (Mouse))
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
Affinity DataKi:  14nMAssay Description:Binding affinity was evaluated against dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2348JDZPubMed
TargetThymidylate synthase(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
Affinity DataKi:  20nMAssay Description:Tested for inhibitory activity against thymidylate synthase of L1210 cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2NK3G7FPubMed
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...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2BP01SBPubMed
TargetThymidylate synthase(Escherichia coli)
Università di Modena e Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
Affinity DataKi:  95nMAssay Description:In vitro inhibition of Lactobacillus casei Thymidylate synthase.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23F4NT5PubMed
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2VX0FHSPubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 36nMAssay Description:Inhibitory activity against thymidylate Synthase from human recombinant sourcesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2GX49MKPubMed
TargetThymidylate synthase(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2R49PRCPubMed
TargetDihydrofolate reductase(Mus musculus (Mouse))
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2HH6J3PPubMed
TargetThymidylate synthase(Escherichia coli)
Agouron Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
Affinity DataIC50: 19nMAssay Description:Inhibition of Escherichia coli thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FF3T7BPubMed
TargetDihydrofolate reductase(Mus musculus (Mouse))
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
Affinity DataIC50: 6.60E+3nMAssay Description:Inhibitory activity against dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2348JDZPubMed
TargetDihydrofolate reductase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
Affinity DataIC50: 22nMAssay Description:Inhibitory activity against dihydrofolate reductase derived from Lactobacillus caseiMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2BG2PK6PubMed
TargetThymidylate synthase(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2BG2PK6PubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
Affinity DataIC50: 7.20E+3nMAssay Description:Tested for 50% inhibition of WI-L2 Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q26Q1XVGPubMed
TargetThymidylate synthase(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q26Q1XVGPubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 100nMAssay Description:Inhibitory concentration against Escherichia coli Thymidylate synthase (TS).More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2W096N3PubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 150nMAssay Description:Inhibitory concentration against recombinant human (rh) Thymidylate synthase (TS)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2W096N3PubMed
TargetThymidylate synthase(Rattus norvegicus)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
Affinity DataIC50: 360nMAssay Description:Inhibitory concentration against rat Thymidylate synthase (TS)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2W096N3PubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 55nMAssay Description:Inhibitory concentration against Lactobacillus casei Thymidylate synthase (TS).More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2W096N3PubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 85nMAssay Description:Inhibition of human thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FF3T7BPubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 430nMAssay Description:Inhibition of Toxoplasma gondii thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FF3T7BPubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of human recombinant DHFRMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FF3T7BPubMed
TargetDihydrofolate reductase(Escherichia coli)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
Affinity DataIC50: 2.30E+4nMAssay Description:Inhibition of Escherichia coli DHFRMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FF3T7BPubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q23X85NGPubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 85nMAssay Description:Inhibition of human thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25X29ZHPubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 430nMAssay Description:Inhibition of Toxoplasma gondii thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25X29ZHPubMed
TargetThymidylate synthase(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
Affinity DataIC50: 28nMAssay Description:Evaluated for the inhibition of thymidylate synthase in intact L1210 cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2R49PRCPubMed
TargetThymidylate synthase(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
Affinity DataIC50: 8.20E+3nMAssay Description:Inhibitory activity against thymidylate synthase in the intact L1210 cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2BG2PK6PubMed
TargetThymidylate synthase(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
Affinity DataIC50: 20nMAssay Description:Inhibitory activity against thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2348JDZPubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
Affinity DataIC50: 300nMAssay Description:Concentration required for 50% inhibition against dihydrofolate reductase of S. faeciumMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q23X85NGPubMed
TargetThymidylate synthase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
Affinity DataIC50: 36nMAssay Description:Inhibitory activity against thymidylate Synthase from Lactobacillus caseiMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2GX49MKPubMed
TargetThymidylate synthase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
Affinity DataIC50: 13nMAssay Description:Inhibitory activity against thymidylate synthase derived from Lactobacillus caseiMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2BG2PK6PubMed
TargetDihydrofolate reductase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
Affinity DataIC50: 4.90E+3nMAssay Description:Inhibition of dihydrofolate reductase in Lactobacillus caseiMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2P55MG5PubMed
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...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2P55MG5PubMed
TargetThymidylate synthase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
Affinity DataIC50: 21nMAssay Description:Inhibition of thymidyllate synthase in Lactobacillus caseiMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2P55MG5PubMed
TargetThymidylate synthase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2BP01SBPubMed
TargetThymidylate synthase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
Affinity DataIC50: 21nMAssay Description:Evaluated for the inhibition of thymidylate synthase in L. caseiMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2R49PRCPubMed
TargetDihydrofolate reductase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50008294(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)copy SMILEScopy InChI
Affinity DataIC50: 4.90E+3nMAssay Description:Evaluated for the inhibition of dihydrofolate reductase in L. caseiMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2R49PRCPubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 220nMAssay Description:Inhibition of Toxoplasma gondii DHFRMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FF3T7BPubMed