BDBM50040861 (S)-2-(5-(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID::(S)-2-{5-[(3-Methyl-1-oxo-1,2-dihydro-benzo[f]quinazolin-9-ylmethyl)-amino]-1-oxo-1,3-dihydro-isoindol-2-yl}-pentanedioic acid::CHEMBL169896::S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID::TCMDC-131928

SMILES Cc1nc2ccc3ccc(CNc4ccc5C(=O)N(Cc5c4)[C@@H](CCC(O)=O)C(O)=O)cc3c2c(=O)[nH]1

InChI Key InChIKey=BRVFNEZMTRVUGW-UHFFFAOYSA-N

Data  2 KI  5 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 7 hits for monomerid = 50040861   

TargetThymidylate synthase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50040861(S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZ...)
Affinity DataIC50: 32nMAssay Description:Inhibition of human TS assessed as oxidation of tetrahydrofolate to dihydrofolate after 2 to 12 mins by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetThymidylate synthase(Escherichia coli)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50040861(S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZ...)
Affinity DataIC50: 23nMAssay Description:Inhibition of Escherichia coli TS assessed as oxidation of tetrahydrofolate to dihydrofolate after 2 to 12 mins by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50040861(S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZ...)
Affinity DataIC50: 27nMAssay Description:Inhibition of Toxoplasma gondii TS assessed as oxidation of tetrahydrofolate to dihydrofolate after 2 to 12 mins by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50040861(S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZ...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human DHFR by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50040861(S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZ...)
Affinity DataIC50: 710nMAssay Description:Inhibition of Toxoplasma gondii DHFR by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50040861(S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZ...)
Affinity DataKi:  0.0900nMAssay Description:The compound was tested for inhibitory activity against thymidylate synthase (purified recombinant human gene) from Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50040861(S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZ...)
Affinity DataKi:  0.0900nMAssay Description:Inhibition of TS by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed