Compile Data Set for Download or QSAR
Found 30 Enz. Inhib. hit(s) with all data for entry = 50035611
TargetS-adenosylmethionine synthase isoform type-1/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:  4.00E+3nMAssay Description:Inhibitory constant against rat Methionine adenosyltransferase was reportedMore data for this Ligand-Target Pair
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-1(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:  9.00E+3nMAssay Description:Inhibitory constant against rat liver Methionine adenosyltransferase I, activity expressed as KiMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-1(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:  1.40E+4nMAssay Description:Inhibitory constant against rat liver Methionine adenosyltransferase I, activity expressed as KiMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-1(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:  1.50E+4nMAssay Description:Inhibitory constant against rat liver Methionine adenosyltransferase IMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-1/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:  3.70E+4nMAssay Description:Competitive inhibition of rat methionine adenosyltransferase, activity expressed as KiMore 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
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-1/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:  8.00E+4nMAssay Description:Competitive inhibition of rat methionine adenosyltransferase, activity expressed as KiMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-1/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:  1.00E+5nMAssay Description:Competitive inhibition of rat methionine adenosyltransferase, activity expressed as KiMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-1/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:  1.10E+5nMAssay Description:Inhibitory constant against rat Methionine adenosyltransferase was reportedMore 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-1/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:  1.40E+5nMAssay Description:Competitive inhibition of rat methionine adenosyltransferase, 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-1/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:  1.70E+5nMAssay Description:Competitive inhibition of rat methionine adenosyltransferase, activity expressed as KiMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-1/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:  1.80E+5nMAssay Description:Competitive inhibition of rat methionine adenosyltransferase, activity expressed as KiMore 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-1/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:  2.10E+5nMAssay Description:Inhibitory constant against rat methionine adenosyltransferase was reportedMore 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
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-1/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:  3.10E+5nMAssay Description:Inhibitory constant against rat Methionine adenosyltransferase was reportedMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-1/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:  3.40E+5nMAssay Description:Inhibitory constant against rat Methionine adenosyltransferase was reportedMore 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
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-1/type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50010308(CHEMBL3251357)
Show SMILES CSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H18N5O13P3S/c1-33-11-15-5-8(12)13-3-14-9(5)16(11)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)(H2,12,13,14)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
Affinity DataKi:  5.30E+5nMAssay Description:Inhibitory constant against rat Methionine adenosyltransferase was reportedMore 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-1/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:  7.50E+5nMAssay Description:Competitive inhibition of rat methionine adenosyltransferase, activity expressed as KiMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-1(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:  3.30E+6nMAssay Description:Inhibitory constant against rat liver Methionine adenosyltransferase IMore data for this Ligand-Target Pair