BDBM50006906 2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid::2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid 5-ethyl ester::2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid::CHEMBL23977

SMILES Nc1nc2ccc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1

InChI Key InChIKey=UQFCLENKCDVITL-UHFFFAOYSA-N

Data  4 KI  2 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 6 hits for monomerid = 50006906   

TargetThymidylate synthase(Mouse)
TBA

Curated by ChEMBL
LigandPNGBDBM50006906(CHEMBL23977 | 2-{4-[(2-Amino-4-oxo-3,4-dihydro-qui...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory activity against thymidylate synthase in the intact L1210 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetThymidylate synthase(Lactobacillus casei)
Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50006906(CHEMBL23977 | 2-{4-[(2-Amino-4-oxo-3,4-dihydro-qui...)
Affinity DataIC50: 2.44E+3nMAssay Description:Inhibitory concentration of compound to inhibit Thymidylate synthase (TS) in L1210 cells at conc. of 200 uMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Rat)
Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50006906(CHEMBL23977 | 2-{4-[(2-Amino-4-oxo-3,4-dihydro-qui...)
Affinity DataKi:  0.580nMAssay Description:Compound was evaluated for the inhibition of partially purified rat liver Dihydrofolate reductase (DHFR) enzymeMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetFolylpolyglutamate synthase, mitochondrial(Mouse)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50006906(CHEMBL23977 | 2-{4-[(2-Amino-4-oxo-3,4-dihydro-qui...)
Affinity DataKi:  67nMAssay Description:Binding affinity towards Folyl polyglutamate synthetase (FPGS)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50006906(CHEMBL23977 | 2-{4-[(2-Amino-4-oxo-3,4-dihydro-qui...)
Affinity DataKi:  2.00E+3nMAssay Description:Inhibition of GAR transformylase isolated from the murine lymphoma cell line L5178YMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50006906(CHEMBL23977 | 2-{4-[(2-Amino-4-oxo-3,4-dihydro-qui...)
Affinity DataKi:  2.00E+3nMAssay Description:Compound was evaluated for the inhibition of GAR transformylase isolated from murine lymphoma cell line L5178YMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed