BDBM50049168 (R)-2-((S)-4-Carboxy-4-{4-[(2,7-dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-butyrylamino)-hexanedioic acid; TFA::CHEMBL349432

SMILES Cc1nc2cc(C)c(CN(CC#C)c3ccc(C(=O)N[C@@H](CCC(=O)N[C@H](CCCC(O)=O)C(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1

InChI Key InChIKey=KZXWXFJWJIVZFH-UHFFFAOYSA-N

Data  1 KI  1 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 2 hits for monomerid = 50049168   

TargetThymidylate synthase(Mouse)
Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50049168((R)-2-((S)-4-Carboxy-4-{4-[(2,7-dimethyl-4-oxo-3,4...)
Affinity DataIC50: 0.560nMAssay Description:Inhibition of Thymidylate synthase activity in L1210 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetThymidylate synthase(Mouse)
Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50049168((R)-2-((S)-4-Carboxy-4-{4-[(2,7-dimethyl-4-oxo-3,4...)
Affinity DataKi:  0.120nMAssay Description:Binding affinity against L1210 Thymidylate synthase.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed