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 6 hits for monomerid = 18771   

TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

LigandPNGBDBM18771((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
Affinity DataIC50:  85nMpH: 7.4 T: 2°CAssay Description:TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

LigandPNGBDBM18771((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
Affinity DataIC50:  220nMAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
Duquesne University

LigandPNGBDBM18771((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
Affinity DataIC50:  2.30E+4nMAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Duquesne University

LigandPNGBDBM18771((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
Affinity DataIC50:  1.90E+3nMAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

LigandPNGBDBM18771((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
Affinity DataIC50:  430nMAssay Description:TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Escherichia coli)
Duquesne University

LigandPNGBDBM18771((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
Affinity DataIC50:  19nMAssay Description:TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...More data for this Ligand-Target Pair