BDBM50014480 (S)-2-(4-(((4-oxo-3,4-dihydroquinazolin-6-yl)methyl)(prop-2-ynyl)amino)benzamido)pentanedioic acid::2-{4-[(4-Oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid::CHEMBL103059

SMILES OC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc[nH]c(=O)c2c1)C(O)=O

InChI Key InChIKey=AOGOUTMDEVCZHA-UHFFFAOYSA-N

Data  3 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50014480   

TargetThymidylate synthase(Mouse)
Ici Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50014480(CHEMBL103059 | 2-{4-[(4-Oxo-3,4-dihydro-quinazolin...)
Affinity DataIC50: 160nMAssay 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)
Ici Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50014480(CHEMBL103059 | 2-{4-[(4-Oxo-3,4-dihydro-quinazolin...)
Affinity DataIC50: 170nMAssay 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(Human)
Meerut Institute of Engineering and Technology

Curated by ChEMBL
LigandPNGBDBM50014480(CHEMBL103059 | 2-{4-[(4-Oxo-3,4-dihydro-quinazolin...)
Affinity DataIC50: 170nMAssay 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)
Ici Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50014480(CHEMBL103059 | 2-{4-[(4-Oxo-3,4-dihydro-quinazolin...)
Affinity DataKi:  27nMAssay 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)
Ici Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50014480(CHEMBL103059 | 2-{4-[(4-Oxo-3,4-dihydro-quinazolin...)
Affinity DataKi:  64nMAssay 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
LigandPNGBDBM50014480(CHEMBL103059 | 2-{4-[(4-Oxo-3,4-dihydro-quinazolin...)
Affinity DataKi:  2.25E+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