BDBM50004385 2-{4-[(4-Chloro-2-ethyl-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate::CHEMBL411036

SMILES CCc1cc(Cl)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc2n1

InChI Key InChIKey=BUWYOYYEABKGMF-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50004385   

TargetThymidylate synthase(Mouse)
Ici Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50004385(CHEMBL411036 | 2-{4-[(4-Chloro-2-ethyl-quinolin-6-...)
Affinity DataIC50: 990nMAssay Description:In vitro inhibitory activity against thymidylate synthase from L1210 mouse leukemia cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMed