null

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

PDB links: 27 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 18771   

TargetDihydrofolate reductase(Rattus norvegicus (rat))
ICI Pharmaceuticals Mereside

Curated by ChEMBL
LigandPNGBDBM18771((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)copy SMILEScopy InChI
Affinity DataKi:  75nMAssay Description:Inhibitory activity against Dihydrofolate reductase in rat liverMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZW1JWXPubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Duquesne University

LigandPNGBDBM18771((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2CR5RPKPubMed
TargetDihydrofolate reductase(Escherichia coli)
Duquesne University

LigandPNGBDBM18771((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2CR5RPKPubMed
TargetDihydrofolate reductase(Escherichia coli)
Duquesne University

LigandPNGBDBM18771((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)copy SMILEScopy InChI
Affinity DataIC50: 2.30E+4nMpH: 7.4 T: 2°CAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2CV4G0ZPubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Duquesne University

LigandPNGBDBM18771((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)copy SMILEScopy InChI
Affinity DataIC50: 1.90E+3nMpH: 7.4 T: 2°CAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2CV4G0ZPubMed
TargetDihydrofolate reductase(Escherichia coli)
Duquesne University

LigandPNGBDBM18771((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2057D6NPubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Duquesne University

LigandPNGBDBM18771((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2057D6NPubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Duquesne University

LigandPNGBDBM18771((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)copy SMILEScopy InChI
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of human DHFR by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22V2GGPPubMed