BDBM50004368 CHEMBL92341::hydratemino]-benzoylamino}-pentanedioic acid ; hydrate

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

InChI Key InChIKey=NAKFYEALFDBYDF-QHCPKHFHSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50004368   

TargetThymidylate synthase(Mus musculus)
Ici Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50004368(CHEMBL92341 | hydratemino]-benzoylamino}-pentanedi...)
Affinity DataIC50:  620nMAssay Description:In vitro inhibitory activity against thymidylate synthase from L1210 mouse leukemia cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed