BDBM18796 (2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioic acid::LY231514::Pemetrexed

SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1

InChI Key InChIKey=WBXPDJSOTKVWSJ-ZDUSSCGKSA-N

Data  13 KI  88 IC50  1 Kd

PDB links: 11 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 18796   

TargetThymidylate synthase(Mus musculus)
Princeton University

Curated by ChEMBL
LigandPNGBDBM18796((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...)
Affinity DataKi:  340nMAssay Description:Compound was evaluated for competitive inhibition of recombinant mouse thymidylate synthaseMore data for this Ligand-Target Pair