BDBM18771 (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)formamido]pentanedioic acid::CB3717::CHEMBL389051::PDDF

SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1

InChI Key InChIKey=LTKHPMDRMUCUEB-IBGZPJMESA-N

Data  14 KI  46 IC50

PDB links: 27 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 18771   

TargetThymidylate synthase(Mus musculus)
Ici Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM18771((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
Affinity DataKi:  3.40nMAssay Description:Binding affinity against Thymidylate synthase was measured in vitroMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Rattus norvegicus (rat))
Ici Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM18771((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
Affinity DataKi:  75nMAssay Description:Inhibitory activity against Dihydrofolate reductase in rat liverMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Mus musculus)
Ici Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM18771((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
Affinity DataIC50:  20nMAssay Description:In vitro inhibitory activity against thymidylate synthase (TS) from L1210 mouse leukemia cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Mus musculus)
Ici Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM18771((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
Affinity DataIC50:  20nMAssay Description:Concentration required for in vitro inhibition of thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed