Compile Data Set for Download or QSAR
Report error Found 11 Enz. Inhib. hit(s) with all data for entry = 50028846
TargetBetaine--homocysteine S-methyltransferase 1(Human)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50268080((S)-5-(3-Amino-3-carboxypropylthio)-3,3-dimethylpe...)
Affinity DataKd:  83nMAssay Description:Binding affinity to human recombinant BHMT expressed in Escherichia coli by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetBetaine--homocysteine S-methyltransferase 1(Human)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50189917((R,S)-5-(3-amino-3-carboxy-propylsulfanyl)-pentano...)
Affinity DataKd:  280nMAssay Description:Binding affinity to human recombinant BHMT expressed in Escherichia coli by intrinsic tryptophan fluorescence studiesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBetaine--homocysteine S-methyltransferase 1(Human)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50268080((S)-5-(3-Amino-3-carboxypropylthio)-3,3-dimethylpe...)
Affinity DataIC50: 64nMAssay Description:Inhibition of human recombinant BHMT expressed in Escherichia coli using 2 mM betaine and 1 mM DL-homocysteine as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetBetaine--homocysteine S-methyltransferase 1(Human)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50268079((RS)-5-(3-Amino-3-carboxypropylthio)-3,3-dimethylp...)
Affinity DataIC50: 84nMAssay Description:Inhibition of human recombinant BHMT expressed in Escherichia coli using 2 mM betaine and 1 mM DL-homocysteine as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetBetaine--homocysteine S-methyltransferase 1(Human)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50189917((R,S)-5-(3-amino-3-carboxy-propylsulfanyl)-pentano...)
Affinity DataIC50: 138nMAssay Description:Inhibition of human recombinant BHMT expressed in Escherichia coli using 2 mM betaine and 1 mM DL-homocysteine as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBetaine--homocysteine S-methyltransferase 1(Human)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50268078((RS,RS)-5-(3-Amino-3-carboxypropylthio)-3-methylpe...)
Affinity DataIC50: 139nMAssay Description:Inhibition of human recombinant BHMT expressed in Escherichia coli using 2 mM betaine and 1 mM DL-homocysteine as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetBetaine--homocysteine S-methyltransferase 1(Human)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50268032((RS)-5-(3-Amino-3-carboxypropylselanyl)pentanoic A...)
Affinity DataIC50: 649nMAssay Description:Inhibition of human recombinant BHMT expressed in Escherichia coli using 2 mM betaine and 1 mM DL-homocysteine as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetBetaine--homocysteine S-methyltransferase 1(Human)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50268081((R)-5-(3-Amino-3-carboxypropylthio)-3,3-dimethylpe...)
Affinity DataIC50: 701nMAssay Description:Inhibition of human recombinant BHMT expressed in Escherichia coli using 2 mM betaine and 1 mM DL-homocysteine as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetBetaine--homocysteine S-methyltransferase 1(Human)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50268055((RS)-2-Amino-4-{2-[(carboxymethyl)(methyl)amino]et...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of human recombinant BHMT expressed in Escherichia coli using 2 mM betaine and 1 mM DL-homocysteine as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetBetaine--homocysteine S-methyltransferase 1(Human)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50268031((RS)-2-Amino-4-[(2-carboxyethylthio)methylthio]but...)
Affinity DataIC50: 3.26E+3nMAssay Description:Inhibition of human recombinant BHMT expressed in Escherichia coli using 2 mM betaine and 1 mM DL-homocysteine as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetBetaine--homocysteine S-methyltransferase 1(Human)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50189917((R,S)-5-(3-amino-3-carboxy-propylsulfanyl)-pentano...)
Affinity DataKi:  12nMAssay Description:Binding affinity to human recombinant BHMT expressed in Escherichia coli using variable levels of betaine substrate by Dixon plotMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)