Compile Data Set for Download or QSAR
Found 2345 Enz. Inhib. hit(s) with Target = 'S-adenosylmethionine synthase isoform type-2'
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM18134(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
Affinity DataKi:  5.50E+3nMAssay Description:Inhibitory constant against rat kidney Methionine adenosyltransferase IIMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
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)
TBA

Curated by ChEMBL
LigandPNGBDBM50367328(CHEMBL1791415)
Show SMILES NC(CCSC(CP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C15H26N7O13P3S/c16-6(15(25)26)1-2-39-7(3-36(27,28)35-38(32,33)21-37(29,30)31)11-9(23)10(24)14(34-11)22-5-20-8-12(17)18-4-19-13(8)22/h4-7,9-11,14,23-24H,1-3,16H2,(H,25,26)(H,27,28)(H2,17,18,19)(H4,21,29,30,31,32,33)/t6?,7?,9-,10+,11+,14+/m0/s1
Affinity DataKi:  1.60E+4nMAssay Description:Inhibition constant was evaluated with kidney Methionine adenosyltransferase II form of rat methionine adenosyltransferase, when ATP was the variable...More data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50367329(CHEMBL1791416)
Show SMILES NC(CCSC(CP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C15H25N6O14P3S/c16-6(15(24)25)1-2-39-7(3-36(26,27)34-38(31,32)35-37(28,29)30)11-9(22)10(23)14(33-11)21-5-20-8-12(17)18-4-19-13(8)21/h4-7,9-11,14,22-23H,1-3,16H2,(H,24,25)(H,26,27)(H,31,32)(H2,17,18,19)(H2,28,29,30)/t6?,7?,9-,10+,11+,14+/m0/s1
Affinity DataKi:  3.90E+4nMAssay Description:Inhibition constant was evaluated with kidney Methionine adenosyltransferase II form of rat methionine adenosyltransferase, when ATP was the variable...More data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50452293(CHEMBL2092766)
Show SMILES CCC[C@]1(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H22N5O13P3/c1-2-3-13(4-28-33(24,25)31-34(26,27)30-32(21,22)23)9(20)8(19)12(29-13)18-6-17-7-10(14)15-5-16-11(7)18/h5-6,8-9,12,19-20H,2-4H2,1H3,(H,24,25)(H,26,27)(H2,14,15,16)(H2,21,22,23)/t8-,9+,12-,13-/m1/s1
Affinity DataKi:  4.80E+4nMAssay Description:Inhibition constant was evaluated with kidney Methionine adenosyltransferase II form of rat methionine adenosyltransferase, when ATP was the variable...More data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50367301(CHEMBL1791432)
Show SMILES CCCC(OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H22N5O13P3/c1-2-3-6(29-33(24,25)31-34(26,27)30-32(21,22)23)10-8(19)9(20)13(28-10)18-5-17-7-11(14)15-4-16-12(7)18/h4-6,8-10,13,19-20H,2-3H2,1H3,(H,24,25)(H,26,27)(H2,14,15,16)(H2,21,22,23)/t6?,8-,9+,10+,13+/m0/s1
Affinity DataKi:  4.80E+4nMAssay Description:Inhibitory constant against rat kidney Methionine adenosyltransferase II, activity expressed as KiMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
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)
TBA

Curated by ChEMBL
LigandPNGBDBM50367042(CHEMBL606221)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](CCOP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H18N5O13P3/c12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(27-11)1-2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,7-8,11,17-18H,1-2H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11?/m1/s1
Affinity DataKi:  7.50E+4nMAssay Description:Inhibitory constant against rat kidney Methionine adenosyltransferase IIMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
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)
TBA

Curated by ChEMBL
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)
TBA

Curated by ChEMBL
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)
TBA

Curated by ChEMBL
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
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50367331(CHEMBL1791417)
Show SMILES NC(CCS(=O)C(CP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C15H25N6O15P3S/c16-6(15(24)25)1-2-40(33)7(3-37(26,27)35-39(31,32)36-38(28,29)30)11-9(22)10(23)14(34-11)21-5-20-8-12(17)18-4-19-13(8)21/h4-7,9-11,14,22-23H,1-3,16H2,(H,24,25)(H,26,27)(H,31,32)(H2,17,18,19)(H2,28,29,30)/t6?,7?,9-,10+,11+,14+,40?/m0/s1
Affinity DataKi:  1.40E+5nMAssay Description:Inhibition constant was evaluated with kidney Methionine adenosyltransferase II form of rat methionine adenosyltransferase, when ATP was the variable...More data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50026197(Adenosine 5'-triphosphate derivative | CHEMBL31428...)
Show SMILES CO[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H18N5O13P3/c1-25-8-7(17)5(2-26-31(21,22)29-32(23,24)28-30(18,19)20)27-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20)
Affinity DataKi:  1.40E+5nMAssay Description:Inhibitory constant against rat kidney Methionine adenosyltransferase II, activity expressed as KiMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50026193(Adenosine 5'-triphosphate derivative | CHEMBL31428...)
Show SMILES CO[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H18N5O13P3/c1-25-8-5(2-26-31(21,22)29-32(23,24)28-30(18,19)20)27-11(7(8)17)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20)
Affinity DataKi:  1.70E+5nMAssay Description:Inhibitory constant against rat kidney Methionine adenosyltransferase II, activity expressed as KiMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50367329(CHEMBL1791416)
Show SMILES NC(CCSC(CP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C15H25N6O14P3S/c16-6(15(24)25)1-2-39-7(3-36(26,27)34-38(31,32)35-37(28,29)30)11-9(22)10(23)14(33-11)21-5-20-8-12(17)18-4-19-13(8)21/h4-7,9-11,14,22-23H,1-3,16H2,(H,24,25)(H,26,27)(H,31,32)(H2,17,18,19)(H2,28,29,30)/t6?,7?,9-,10+,11+,14+/m0/s1
Affinity DataKi:  1.80E+5nMAssay Description:Inhibition constant was evaluated with kidney Methionine adenosyltransferase II form of rat methionine adenosyltransferase, when ATP was the variable...More data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50367305(CHEMBL1791430)
Show SMILES CC(OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H18N5O13P3/c1-4(27-31(22,23)29-32(24,25)28-30(19,20)21)8-6(17)7(18)11(26-8)16-3-15-5-9(12)13-2-14-10(5)16/h2-4,6-8,11,17-18H,1H3,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t4?,6-,7+,8+,11+/m0/s1
Affinity DataKi:  1.90E+5nMAssay Description:Inhibitory constant against rat kidney Methionine adenosyltransferase II, activity expressed as KiMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50367307(CHEMBL1791431)
Show SMILES CCCSC(OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H22N5O13P3S/c1-2-3-35-13(29-33(24,25)31-34(26,27)30-32(21,22)23)9-7(19)8(20)12(28-9)18-5-17-6-10(14)15-4-16-11(6)18/h4-5,7-9,12-13,19-20H,2-3H2,1H3,(H,24,25)(H,26,27)(H2,14,15,16)(H2,21,22,23)/t7-,8+,9-,12+,13?/m0/s1
Affinity DataKi:  2.70E+5nMAssay Description:Inhibitory constant against rat kidney Methionine adenosyltransferase II, activity expressed as KiMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50452293(CHEMBL2092766)
Show SMILES CCC[C@]1(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H22N5O13P3/c1-2-3-13(4-28-33(24,25)31-34(26,27)30-32(21,22)23)9(20)8(19)12(29-13)18-6-17-7-10(14)15-5-16-11(7)18/h5-6,8-9,12,19-20H,2-4H2,1H3,(H,24,25)(H,26,27)(H2,14,15,16)(H2,21,22,23)/t8-,9+,12-,13-/m1/s1
Affinity DataKi:  2.70E+5nMAssay Description:Inhibition constant was evaluated with kidney Methionine adenosyltransferase II form of rat methionine adenosyltransferase, when ATP was the variable...More data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50118221(9H-purine derivative | CHEMBL132722 | DIPHOSPHOMET...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1
Affinity DataKi:  3.00E+5nMAssay Description:Inhibitory constant against rat kidney Methionine adenosyltransferase IIMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50367300(CHEMBL610977)
Show SMILES CCCCSc1ncnc2n(cnc12)C1O[C@H](OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C13H21N4O13P3S/c1-2-3-4-34-11-7-10(14-5-15-11)17(6-16-7)12-8(18)9(19)13(27-12)28-32(23,24)30-33(25,26)29-31(20,21)22/h5-6,8-9,12-13,18-19H,2-4H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)/t8-,9+,12?,13-/m1/s1
Affinity DataKi:  3.10E+5nMAssay Description:Inhibitory constant against rat kidney Methionine adenosyltransferase II, activity expressed as KiMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50367303(CHEMBL1791433)
Show SMILES CSC(OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H18N5O13P3S/c1-33-11(27-31(22,23)29-32(24,25)28-30(19,20)21)7-5(17)6(18)10(26-7)16-3-15-4-8(12)13-2-14-9(4)16/h2-3,5-7,10-11,17-18H,1H3,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,6+,7-,10+,11?/m0/s1
Affinity DataKi:  4.10E+5nMAssay Description:Inhibitory constant against rat kidney Methionine adenosyltransferase II, activity expressed as KiMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50025158(2-Amino-3-methyl-4-methylsulfanyl-butyric acid | C...)
Show SMILES CSCC(C)C(N)C(O)=O
Show InChI InChI=1S/C6H13NO2S/c1-4(3-10-2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
Affinity DataKi:  5.00E+5nMAssay Description:Competitive inhibitory activity against Methionine adenosyltransferase IIMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50367306(CHEMBL608929)
Show SMILES NC(CCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C14H23N6O15P3S/c15-5(13(23)24)1-2-39-14-19-7-10(16)17-4-18-11(7)20(14)12-9(22)8(21)6(33-12)3-32-37(28,29)35-38(30,31)34-36(25,26)27/h4-6,8-9,12,21-22H,1-3,15H2,(H,23,24)(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5?,6-,8-,9-,12?/m1/s1
Affinity DataKi:  5.20E+5nMAssay Description:Inhibitory constant against rat kidney Methionine adenosyltransferase IIMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50367304(CHEMBL610404)
Show SMILES CCCCNc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C14H24N5O13P3/c1-2-3-4-15-12-9-13(17-6-16-12)19(7-18-9)14-11(21)10(20)8(30-14)5-29-34(25,26)32-35(27,28)31-33(22,23)24/h6-8,10-11,14,20-21H,2-5H2,1H3,(H,25,26)(H,27,28)(H,15,16,17)(H2,22,23,24)/t8-,10-,11-,14?/m1/s1
Affinity DataKi:  5.30E+5nMAssay Description:Inhibitory constant against rat kidney Methionine adenosyltransferase IIMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50118232(2-MeSATP | ATP, 2-meS | CHEMBL336208)
Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
Affinity DataKi:  6.00E+5nMAssay Description:Inhibitory constant against rat kidney Methionine adenosyltransferase IIMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50025157(2-Amino-2-methyl-4-methylsulfanyl-pentanoic acid |...)
Show SMILES CS[C@@H](C)C[C@](C)(N)C(O)=O
Show InChI InChI=1S/C7H15NO2S/c1-5(11-3)4-7(2,8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-,7-/m0/s1
Affinity DataKi:  1.50E+6nMAssay Description:Competitive inhibitory activity against M-2 Methionine adenosyltransferase IIMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50025156(2-Amino-4-methylsulfanyl-pentanoic acid | CHEMBL45...)
Show SMILES CSC(C)C[C@@H](N)C(O)=O
Show InChI InChI=1S/C6H13NO2S/c1-4(10-2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4?,5-/m1/s1
Affinity DataKi:  2.40E+6nMAssay Description:Competitive inhibitory activity against Methionine adenosyltransferase IIMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50576014(CHEMBL4521249)
Show SMILES O=c1c(-c2ccc3ncccc3c2)c(Nc2cc[nH]n2)[nH]c2c(c(nn12)-c1ccccc1)C1=CCCCC1
Show InChI InChI=1S/C30H25N7O/c38-30-26(22-13-14-23-21(18-22)12-7-16-31-23)28(33-24-15-17-32-35-24)34-29-25(19-8-3-1-4-9-19)27(36-37(29)30)20-10-5-2-6-11-20/h2,5-8,10-18,34H,1,3-4,9H2,(H2,32,33,35)
Affinity DataIC50: 4nMAssay Description:Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50576017(CHEMBL4552959)
Show SMILES CCOC(=O)c1nnc(Nc2[nH]c3c(c(nn3c(=O)c2-c2ccc3ncccc3c2)-c2ccccc2)-c2ccccc2)o1
Show InChI InChI=1S/C32H23N7O4/c1-2-42-31(41)29-36-37-32(43-29)35-27-25(22-15-16-23-21(18-22)14-9-17-33-23)30(40)39-28(34-27)24(19-10-5-3-6-11-19)26(38-39)20-12-7-4-8-13-20/h3-18,34H,2H2,1H3,(H,35,37)
Affinity DataIC50: 4nMAssay Description:Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50576013(CHEMBL4558617)
Show SMILES COc1ccc(cc1)-c1c(Nc2cc[nH]n2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1
Show InChI InChI=1S/C28H26N6O2/c1-36-21-14-12-19(13-15-21)24-26(30-22-16-17-29-32-22)31-27-23(18-8-4-2-5-9-18)25(33-34(27)28(24)35)20-10-6-3-7-11-20/h3,6-8,10-17,31H,2,4-5,9H2,1H3,(H2,29,30,32)
Affinity DataIC50: 5nMAssay Description:Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50576019(CHEMBL4568226)
Show SMILES COc1ccc(cc1)-c1c(Nc2ccccn2)[nH]c2c(c(nn2c1=O)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H23N5O2/c1-37-23-17-15-21(16-18-23)26-28(32-24-14-8-9-19-31-24)33-29-25(20-10-4-2-5-11-20)27(34-35(29)30(26)36)22-12-6-3-7-13-22/h2-19,33H,1H3,(H,31,32)
Affinity DataIC50: 7nMAssay Description:Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50576011(CHEMBL4514699)
Show SMILES Oc1ccc(cc1)-c1c(Nc2cc[nH]n2)[nH]c2c(c(nn2c1=O)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C27H20N6O2/c34-20-13-11-18(12-14-20)23-25(29-21-15-16-28-31-21)30-26-22(17-7-3-1-4-8-17)24(32-33(26)27(23)35)19-9-5-2-6-10-19/h1-16,30,34H,(H2,28,29,31)
Affinity DataIC50: 7nMAssay Description:Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50576015(CHEMBL4582312)
Show SMILES O=c1c(-c2ccc3ncccc3c2)c(Nc2cc[nH]n2)[nH]c2c(c(nn12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H21N7O/c38-30-26(22-13-14-23-21(18-22)12-7-16-31-23)28(33-24-15-17-32-35-24)34-29-25(19-8-3-1-4-9-19)27(36-37(29)30)20-10-5-2-6-11-20/h1-18,34H,(H2,32,33,35)
Affinity DataIC50: 7nMAssay Description:Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50575996(CHEMBL4870597)
Show SMILES Cc1[nH]c2c(N3CCCCC3)c(nn2c(=O)c1-c1ccc2OCOc2c1)-c1ccccc1
Show InChI InChI=1S/C25H24N4O3/c1-16-21(18-10-11-19-20(14-18)32-15-31-19)25(30)29-24(26-16)23(28-12-6-3-7-13-28)22(27-29)17-8-4-2-5-9-17/h2,4-5,8-11,14,26H,3,6-7,12-13,15H2,1H3
Affinity DataIC50: 8nMAssay Description:Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50576018(CHEMBL4585665)
Show SMILES COc1ccc(cc1)-c1c(Nc2ccon2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1
Show InChI InChI=1S/C28H25N5O3/c1-35-21-14-12-19(13-15-21)24-26(29-22-16-17-36-32-22)30-27-23(18-8-4-2-5-9-18)25(31-33(27)28(24)34)20-10-6-3-7-11-20/h3,6-8,10-17,30H,2,4-5,9H2,1H3,(H,29,32)
Affinity DataIC50: 10nMAssay Description:Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50576016(CHEMBL4584451)
Show SMILES CCOC(=O)n1ccc(Nc2[nH]c3c(c(nn3c(=O)c2-c2ccc(OC)cc2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C31H26N6O4/c1-3-41-31(39)36-19-18-24(34-36)32-28-26(21-14-16-23(40-2)17-15-21)30(38)37-29(33-28)25(20-10-6-4-7-11-20)27(35-37)22-12-8-5-9-13-22/h4-19,33H,3H2,1-2H3,(H,32,34)
Affinity DataIC50: 11nMAssay Description:Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50576012(CHEMBL4559088)
Show SMILES COc1ccc(cc1)-c1c(Nc2cc[nH]n2)[nH]c2c(c(nn2c1=O)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C28H22N6O2/c1-36-21-14-12-19(13-15-21)24-26(30-22-16-17-29-32-22)31-27-23(18-8-4-2-5-9-18)25(33-34(27)28(24)35)20-10-6-3-7-11-20/h2-17,31H,1H3,(H2,29,30,32)
Affinity DataIC50: 13nMAssay Description:Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50576021(CHEMBL4573938)
Show SMILES COc1ccc(cc1)-c1c(Nc2ccccn2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1
Show InChI InChI=1S/C30H27N5O2/c1-37-23-17-15-21(16-18-23)26-28(32-24-14-8-9-19-31-24)33-29-25(20-10-4-2-5-11-20)27(34-35(29)30(26)36)22-12-6-3-7-13-22/h3,6-10,12-19,33H,2,4-5,11H2,1H3,(H,31,32)
Affinity DataIC50: 14nMAssay Description:Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50576002(CHEMBL4590059)
Show SMILES Cc1[nH]c2c(c(nn2c(=O)c1-c1ccc2ncccc2c1)-c1ccccc1)C1=CCCCC1
Show InChI InChI=1S/C28H24N4O/c1-18-24(22-14-15-23-21(17-22)13-8-16-29-23)28(33)32-27(30-18)25(19-9-4-2-5-10-19)26(31-32)20-11-6-3-7-12-20/h3,6-9,11-17,30H,2,4-5,10H2,1H3
Affinity DataIC50: 25nMAssay Description:Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50576020(CHEMBL4529030)
Show SMILES COc1ccc(cc1)-c1c(Nc2cnccn2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1
Show InChI InChI=1S/C29H26N6O2/c1-37-22-14-12-20(13-15-22)25-27(32-23-18-30-16-17-31-23)33-28-24(19-8-4-2-5-9-19)26(34-35(28)29(25)36)21-10-6-3-7-11-21/h3,6-8,10-18,33H,2,4-5,9H2,1H3,(H,31,32)
Affinity DataIC50: 28nMAssay Description:Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50576000(CHEMBL4587880)
Show SMILES Cc1[nH]c2c(c(nn2c(=O)c1-c1ccc(O)cc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H19N3O2/c1-16-21(18-12-14-20(29)15-13-18)25(30)28-24(26-16)22(17-8-4-2-5-9-17)23(27-28)19-10-6-3-7-11-19/h2-15,26,29H,1H3
Affinity DataIC50: 33nMAssay Description:Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50575997(CHEMBL4549681)
Show SMILES Cc1[nH]c2c(N3CCCCC3)c(nn2c(=O)c1-c1ccc2[nH]cnc2c1)-c1ccccc1
Show InChI InChI=1S/C25H24N6O/c1-16-21(18-10-11-19-20(14-18)27-15-26-19)25(32)31-24(28-16)23(30-12-6-3-7-13-30)22(29-31)17-8-4-2-5-9-17/h2,4-5,8-11,14-15,28H,3,6-7,12-13H2,1H3,(H,26,27)
Affinity DataIC50: 45nMAssay Description:Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50575999(CHEMBL4483464)
Show SMILES Cc1[nH]c2c(N3CCCCC3)c(nn2c(=O)c1-c1ccc2ncccc2c1)-c1ccccc1
Show InChI InChI=1S/C27H25N5O/c1-18-23(21-12-13-22-20(17-21)11-8-14-28-22)27(33)32-26(29-18)25(31-15-6-3-7-16-31)24(30-32)19-9-4-2-5-10-19/h2,4-5,8-14,17,29H,3,6-7,15-16H2,1H3
Affinity DataIC50: 52nMAssay Description:Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50575995(CHEMBL4560666)
Show SMILES Cc1[nH]c2c(N3CCCCC3)c(nn2c(=O)c1-c1ccc(O)cc1)-c1ccccc1
Show InChI InChI=1S/C24H24N4O2/c1-16-20(17-10-12-19(29)13-11-17)24(30)28-23(25-16)22(27-14-6-3-7-15-27)21(26-28)18-8-4-2-5-9-18/h2,4-5,8-13,25,29H,3,6-7,14-15H2,1H3
Affinity DataIC50: 57nMAssay Description:Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50576001(CHEMBL4561247)
Show SMILES Cc1[nH]c2c(C3CCCCC3)c(nn2c(=O)c1-c1ccc2ncccc2c1)-c1ccccc1
Show InChI InChI=1S/C28H26N4O/c1-18-24(22-14-15-23-21(17-22)13-8-16-29-23)28(33)32-27(30-18)25(19-9-4-2-5-10-19)26(31-32)20-11-6-3-7-12-20/h3,6-8,11-17,19,30H,2,4-5,9-10H2,1H3
Affinity DataIC50: 66nMAssay Description:Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50575998(CHEMBL4582351)
Show SMILES Cc1[nH]c2c(N3CCCCC3)c(nn2c(=O)c1-c1ccc2[nH]c(N)nc2c1)-c1ccccc1
Show InChI InChI=1S/C25H25N7O/c1-15-20(17-10-11-18-19(14-17)29-25(26)28-18)24(33)32-23(27-15)22(31-12-6-3-7-13-31)21(30-32)16-8-4-2-5-9-16/h2,4-5,8-11,14,27H,3,6-7,12-13H2,1H3,(H3,26,28,29)
Affinity DataIC50: 83nMAssay Description:Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50576004(CHEMBL4552037)
Show SMILES Cc1[nH]c2c(c(nn2c(=O)c1-c1ccc2ncccc2c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C28H20N4O/c1-18-24(22-14-15-23-21(17-22)13-8-16-29-23)28(33)32-27(30-18)25(19-9-4-2-5-10-19)26(31-32)20-11-6-3-7-12-20/h2-17,30H,1H3
Affinity DataIC50: 97nMAssay Description:Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50559544(CHEMBL4751206)
Show SMILES COc1ccc(cn1)-c1c2nc(OCC(F)F)ccc2nn(-c2ccc3nn(C)cc3c2)c1=O
Show InChI InChI=1S/C23H18F2N6O3/c1-30-11-14-9-15(4-5-16(14)28-30)31-23(32)21(13-3-7-19(33-2)26-10-13)22-17(29-31)6-8-20(27-22)34-12-18(24)25/h3-11,18H,12H2,1-2H3
Affinity DataIC50: 100nMAssay Description:Inhibition of MAT2A in human HCT-116 cells assessed as reduction in SAM incubated for 72 hrs by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50559546(CHEMBL4760483)
Show SMILES Cn1cc2cc(ccc2n1)-n1nc2ccc(SCC(F)(F)F)nc2c(-c2ccc(OC(F)F)cc2)c1=O
Show InChI InChI=1S/C24H16F5N5O2S/c1-33-11-14-10-15(4-7-17(14)31-33)34-22(35)20(13-2-5-16(6-3-13)36-23(25)26)21-18(32-34)8-9-19(30-21)37-12-24(27,28)29/h2-11,23H,12H2,1H3
Affinity DataIC50: 100nMAssay Description:Inhibition of MAT2A in human HCT-116 cells assessed as reduction in SAM incubated for 72 hrs by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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