BDBM50004378 ; hydrate2-{4-[(2-Methyl-4-methylsulfanyl-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate::CHEMBL91743

SMILES CSc1cc(C)nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc12

InChI Key InChIKey=UYGYVMBHYSAQCO-QHCPKHFHSA-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 = 50004378   

TargetThymidylate synthase(Mus musculus)
Ici Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50004378(; hydrate2-{4-[(2-Methyl-4-methylsulfanyl-quinolin...)
Affinity DataIC50:  8.90E+3nMAssay Description:In vitro inhibitory activity against thymidylate synthase from L1210 mouse leukemia cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed