Compile Data Set for Download or QSAR
Found 6 Enz. Inhib. hit(s) with all data for assayid = 1 entry = 5211
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
Laboratoire de chimie bioorganique

LigandPNGBDBM85447(Epoxy analogue, I(a))
Show SMILES N[C@@H](C[C@H]1CO1)C(O)=O
Show InChI InChI=1S/C5H9NO3/c6-4(5(7)8)1-3-2-9-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1
Affinity DataKi:  7.00E+3nM ΔG°:  -30.6kJ/mole IC50: 5.00E+4nMpH: 7.5 T: 2°CAssay Description:AdoMet synthetase activity was measured by a radioactive assay using (14C-methyl)-L-methionine as described by Sullivan and Hoffman with minor modifi...More data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
Laboratoire de chimie bioorganique

LigandPNGBDBM85448(Epoxy analogue, I(b))
Show SMILES C[C@H]1O[C@H]1C[C@H](N)C(O)=O
Show InChI InChI=1S/C6H11NO3/c1-3-5(10-3)2-4(7)6(8)9/h3-5H,2,7H2,1H3,(H,8,9)/t3-,4+,5+/m1/s1
Affinity DataKi:  6.10E+4nM ΔG°:  -25.0kJ/mole IC50: 1.00E+5nMpH: 7.5 T: 2°CAssay Description:AdoMet synthetase activity was measured by a radioactive assay using (14C-methyl)-L-methionine as described by Sullivan and Hoffman with minor modifi...More data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
Laboratoire de chimie bioorganique

LigandPNGBDBM85450(Epithioamino acid analogue, II(a))
Show SMILES N[C@@H](C[C@@H]1CS1)C(O)=O
Show InChI InChI=1S/C5H9NO2S/c6-4(5(7)8)1-3-2-9-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4+/m1/s1
Affinity DataKi:  1.00E+5nM ΔG°:  -23.7kJ/mole IC50: 1.40E+5nMpH: 7.5 T: 2°CAssay Description:AdoMet synthetase activity was measured by a radioactive assay using (14C-methyl)-L-methionine as described by Sullivan and Hoffman with minor modifi...More data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
Laboratoire de chimie bioorganique

LigandPNGBDBM85449(Epoxy analogue, I(c))
Show SMILES C[C@@H]1O[C@H]1C[C@H](N)C(O)=O
Show InChI InChI=1S/C6H11NO3/c1-3-5(10-3)2-4(7)6(8)9/h3-5H,2,7H2,1H3,(H,8,9)/t3-,4-,5-/m0/s1
Affinity DataKi:  1.05E+5nM ΔG°:  -23.6kJ/mole IC50: 1.10E+5nMpH: 7.5 T: 2°CAssay Description:AdoMet synthetase activity was measured by a radioactive assay using (14C-methyl)-L-methionine as described by Sullivan and Hoffman with minor modifi...More data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
Laboratoire de chimie bioorganique

LigandPNGBDBM85451(Epithioamino acid analogue, II(b))
Show SMILES C[C@H]1S[C@@H]1C[C@H](N)C(O)=O
Show InChI InChI=1S/C6H11NO2S/c1-3-5(10-3)2-4(7)6(8)9/h3-5H,2,7H2,1H3,(H,8,9)/t3-,4+,5-/m1/s1
Affinity DataKi:  1.40E+5nM ΔG°:  -22.9kJ/mole IC50: 3.00E+5nMpH: 7.5 T: 2°CAssay Description:AdoMet synthetase activity was measured by a radioactive assay using (14C-methyl)-L-methionine as described by Sullivan and Hoffman with minor modifi...More data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
Laboratoire de chimie bioorganique

LigandPNGBDBM85452(Epithioamino acid analogue, II(c))
Show SMILES C[C@@H]1S[C@@H]1C[C@H](N)C(O)=O
Show InChI InChI=1S/C6H11NO2S/c1-3-5(10-3)2-4(7)6(8)9/h3-5H,2,7H2,1H3,(H,8,9)/t3-,4-,5+/m0/s1
Affinity DataKi:  1.40E+5nM ΔG°:  -22.9kJ/mole IC50: 4.00E+5nMpH: 7.5 T: 2°CAssay Description:AdoMet synthetase activity was measured by a radioactive assay using (14C-methyl)-L-methionine as described by Sullivan and Hoffman with minor modifi...More data for this Ligand-Target Pair