BDBM50012244 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(DMPDDF)::CHEMBL25889

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

InChI Key InChIKey=PMTUUSDTAKQWQJ-UHFFFAOYSA-N

Data  2 KI  10 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 12 hits for monomerid = 50012244   

TargetThymidylate synthase(Lactobacillus casei)
University of South Alabama

Curated by ChEMBL
LigandPNGBDBM50012244(CHEMBL25889 | 2-{4-[(2-Methyl-4-oxo-3,4-dihydro-qu...)
Affinity DataIC50: 100nMAssay Description:Inhibition of thymidylate synthase in Lactobacillus caseiMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Lactobacillus casei)
University of South Alabama

Curated by ChEMBL
LigandPNGBDBM50012244(CHEMBL25889 | 2-{4-[(2-Methyl-4-oxo-3,4-dihydro-qu...)
Affinity DataIC50: 3.50E+4nMAssay Description:Inhibition of dihydrofolate reductase in Lactobacillus caseiMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThymidylate synthase(Human)
University of South Alabama

Curated by ChEMBL
LigandPNGBDBM50012244(CHEMBL25889 | 2-{4-[(2-Methyl-4-oxo-3,4-dihydro-qu...)
Affinity DataIC50: 60nMAssay Description:Inhibition of pure human thymidylate synthase from extract of Manca human lymphoma cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTrifunctional purine biosynthetic protein adenosine-3(Human)
University of South Alabama

Curated by ChEMBL
LigandPNGBDBM50012244(CHEMBL25889 | 2-{4-[(2-Methyl-4-oxo-3,4-dihydro-qu...)
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of GAR formyltransferase in Lactobacillus caseiMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional purine biosynthesis protein ATIC(Human)
University of South Alabama

Curated by ChEMBL
LigandPNGBDBM50012244(CHEMBL25889 | 2-{4-[(2-Methyl-4-oxo-3,4-dihydro-qu...)
Affinity DataIC50: 6.00E+4nMAssay Description:Inhibition of AICAR formyltransferase from extract of Manca human lymphoma cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThymidylate synthase(Mouse)
Zeneca Pharma

Curated by ChEMBL
LigandPNGBDBM50012244(CHEMBL25889 | 2-{4-[(2-Methyl-4-oxo-3,4-dihydro-qu...)
Affinity DataIC50: 50nMAssay Description:In vitro inhibitory activity against thymidylate synthase partially purified from L1210 mouse leukemia cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional purine biosynthesis protein ATIC(Human)
University of South Alabama

Curated by ChEMBL
LigandPNGBDBM50012244(CHEMBL25889 | 2-{4-[(2-Methyl-4-oxo-3,4-dihydro-qu...)
Affinity DataIC50: 6.00E+4nMAssay Description:Inhibition of AICAR formyltransferase in Lactobacillus caseiMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Human)
University of South Alabama

Curated by ChEMBL
LigandPNGBDBM50012244(CHEMBL25889 | 2-{4-[(2-Methyl-4-oxo-3,4-dihydro-qu...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of pure human dihydrofolate reductase (DHFR) from lymphoblastoid cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThymidylate synthase(Human)
University of South Alabama

Curated by ChEMBL
LigandPNGBDBM50012244(CHEMBL25889 | 2-{4-[(2-Methyl-4-oxo-3,4-dihydro-qu...)
Affinity DataIC50: 60nMAssay Description:Inhibition of pure human thymidylate synthase from extract of Manca human lymphoma cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTrifunctional purine biosynthetic protein adenosine-3(Human)
University of South Alabama

Curated by ChEMBL
LigandPNGBDBM50012244(CHEMBL25889 | 2-{4-[(2-Methyl-4-oxo-3,4-dihydro-qu...)
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of GAR formyltransferase from extract of Manca human lymphoma cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThymidylate synthase(Escherichia coli)
Agouron Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50012244(CHEMBL25889 | 2-{4-[(2-Methyl-4-oxo-3,4-dihydro-qu...)
Affinity DataKi:  4.80nMAssay Description:Inhibition of Thymidylate synthase of Escherichia coli (Ki)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThymidylate synthase(Human)
University of South Alabama

Curated by ChEMBL
LigandPNGBDBM50012244(CHEMBL25889 | 2-{4-[(2-Methyl-4-oxo-3,4-dihydro-qu...)
Affinity DataKi:  8.5nMAssay Description:Inhibition of human Thymidylate synthase (Ki)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed