BDBM50011243 2-{4-[(4-Hydroxy-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid::2-{4-[(4-Oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid::CHEMBL171480

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

InChI Key InChIKey=AOGOUTMDEVCZHA-UHFFFAOYSA-N

Data  3 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 5 hits for monomerid = 50011243   

TargetThymidylate synthase(Lactobacillus casei)
Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50011243(CHEMBL171480 | 2-{4-[(4-Oxo-3,4-dihydro-quinazolin...)
Affinity DataIC50: 160nMAssay 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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetThymidylate synthase(Mouse)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50011243(CHEMBL171480 | 2-{4-[(4-Oxo-3,4-dihydro-quinazolin...)
Affinity DataIC50: 160nMAssay Description:The compound was not tested for inhibition of L1210 Thymidylate synthase due to insolubilityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/20/2012
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
Parke-Davis Pharmaceutical Research Division

Curated by ChEMBL
LigandPNGBDBM50011243(CHEMBL171480 | 2-{4-[(4-Oxo-3,4-dihydro-quinazolin...)
Affinity DataKi:  26nMAssay Description:Binding affinity against thymidylate synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Rat)
Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50011243(CHEMBL171480 | 2-{4-[(4-Oxo-3,4-dihydro-quinazolin...)
Affinity DataKi:  2.25E+3nMAssay Description:Compound was evaluated for the inhibition of partially purified rat liver Dihydrofolate reductase (DHFR) enzymeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Lactobacillus casei)
Parke-Davis Pharmaceutical Research Division

Curated by ChEMBL
LigandPNGBDBM50011243(CHEMBL171480 | 2-{4-[(4-Oxo-3,4-dihydro-quinazolin...)
Affinity DataKi:  2.50E+3nMAssay Description:Binding affinity against Dihydrofolate reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed