BDBM50006687 (S)-2-(4-(((2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)(prop-2-ynyl)amino)benzamido)pentanedioic acid::(S)-2-{4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid::2-{4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid::2-{4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ;hydrate(2H2O)::2-{4-[1-(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl]-benzoylamino}-pentanedioic acid::CHEMBL434209

SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1

InChI Key InChIKey=PMTUUSDTAKQWQJ-UHFFFAOYSA-N

Data  3 KI  8 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50006687   

TargetThymidylate synthase(Mouse)
Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50006687((S)-2-{4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6...)
Affinity DataIC50: 40nMAssay Description:Inhibition of thymidylate synthase from L1210 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetThymidylate synthase(Mouse)
Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50006687((S)-2-{4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6...)
Affinity DataIC50: 40nMAssay Description:In vitro inhibition against L1210 thymidylate synthase (TS)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetThymidylate synthase(Mouse)
Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50006687((S)-2-{4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6...)
Affinity DataIC50: 50nMAssay Description:Concentration required to inhibit 50% activity of Thymidylate synthase was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetThymidylate synthase(Mouse)
Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50006687((S)-2-{4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6...)
Affinity DataIC50: 40nMAssay Description:Inhibition of partially purified thymidylate synthase (TS)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
Meerut Institute of Engineering and Technology

Curated by ChEMBL
LigandPNGBDBM50006687((S)-2-{4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6...)
Affinity DataIC50: 40nMAssay Description:Inhibition of thymidylate synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMed
TargetThymidylate synthase(Mouse)
Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50006687((S)-2-{4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6...)
Affinity DataIC50: 40nMAssay Description:Inhibition of isolated thymidylate synthase partially purified from L1210 mouse leukemia cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetThymidylate synthase(Mouse)
Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50006687((S)-2-{4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6...)
Affinity DataIC50: 40nMAssay Description:In vitro inhibition of partially purified L1210 thymidylate synthase (TS).More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/21/2012
Entry Details Article
PubMed
TargetThymidylate synthase(Mouse)
Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50006687((S)-2-{4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6...)
Affinity DataIC50: 40nMAssay Description:Concentration required for in vitro inhibition of thymidylate synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetThymidylate synthase(Mouse)
Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50006687((S)-2-{4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6...)
Affinity DataKi:  10nMAssay Description:Binding affinity against Thymidylate synthase was measured in vitroMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetThymidylate synthase(Mouse)
Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50006687((S)-2-{4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6...)
Affinity DataKi:  31nMAssay Description:Inhibition of thymidylate synthase, partially purified from L1210 mouse leukemia cells overexpressing TSMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/19/2013
Entry Details Article
PubMed
TargetDihydrofolate reductase(Rat)
Ici Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50006687((S)-2-{4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6...)
Affinity DataKi: >2.66E+3nMAssay Description:Inhibitory activity against Dihydrofolate reductase in rat liverMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed