BDBM50004367 2-{4-[(2-Carboxy-4-chloro-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate::CHEMBL431846

SMILES OC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc(cc(Cl)c2c1)C(O)=O)C(O)=O

InChI Key InChIKey=PAAUYBPWDZZJOQ-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 = 50004367   

TargetThymidylate synthase(Mouse)
Ici Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50004367(CHEMBL431846 | 2-{4-[(2-Carboxy-4-chloro-quinolin-...)
Affinity DataIC50: 3.10E+4nMAssay 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