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Compile Data Set for Download or QSAR

Found 47 hits Enz. Inhib. hit(s) with Target = 'S-adenosylmethionine synthetase (MAT 1 and MAT 2)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50368140
PNG
(CHEMBL611854)
Show SMILES CCCCSc1ncnc2n(cnc12)C1O[C@H]([C@H](CSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H33N6O14P3S2/c1-2-3-5-44-17-12-16(21-8-22-17)25(9-23-12)18-14(27)13(26)15(37-18)11(7-43-6-4-10(20)19(28)29)38-42(35,36)39-41(33,34)24-40(30,31)32/h8-11,13-15,18,26-27H,2-7,20H2,1H3,(H,28,29)(H,35,36)(H4,24,30,31,32,33,34)/t10?,11-,13-,14+,15+,18?/m0/s1
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110n/an/an/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition constants against ATP substrate site of M-T (Novikoff Ascitic Hepatoma form) variant of rat Methionine adenosyltransferase


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50368140
PNG
(CHEMBL611854)
Show SMILES CCCCSc1ncnc2n(cnc12)C1O[C@H]([C@H](CSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H33N6O14P3S2/c1-2-3-5-44-17-12-16(21-8-22-17)25(9-23-12)18-14(27)13(26)15(37-18)11(7-43-6-4-10(20)19(28)29)38-42(35,36)39-41(33,34)24-40(30,31)32/h8-11,13-15,18,26-27H,2-7,20H2,1H3,(H,28,29)(H,35,36)(H4,24,30,31,32,33,34)/t10?,11-,13-,14+,15+,18?/m0/s1
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120n/an/an/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition constants against ATP substrate site of M-2 (kidney form) variant of rat Methionine adenosyltransferase


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50367675
PNG
(CHEMBL609500)
Show SMILES NC(CCSC[C@H](OP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C15H26N7O14P3S/c16-6(15(25)26)1-2-40-3-7(35-39(32,33)36-38(30,31)21-37(27,28)29)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,32,33)(H2,17,18,19)(H4,21,27,28,29,30,31)/t6?,7-,9-,10+,11+,14?/m0/s1
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130n/an/an/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition constants against ATP substrate site of M-2 (kidney form) variant of rat Methionine adenosyltransferase


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50367675
PNG
(CHEMBL609500)
Show SMILES NC(CCSC[C@H](OP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C15H26N7O14P3S/c16-6(15(25)26)1-2-40-3-7(35-39(32,33)36-38(30,31)21-37(27,28)29)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,32,33)(H2,17,18,19)(H4,21,27,28,29,30,31)/t6?,7-,9-,10+,11+,14?/m0/s1
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210n/an/an/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition constants against ATP substrate site of M-T (Novikoff Ascitic Hepatoma form) variant of rat Methionine adenosyltransferase


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50367675
PNG
(CHEMBL609500)
Show SMILES NC(CCSC[C@H](OP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C15H26N7O14P3S/c16-6(15(25)26)1-2-40-3-7(35-39(32,33)36-38(30,31)21-37(27,28)29)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,32,33)(H2,17,18,19)(H4,21,27,28,29,30,31)/t6?,7-,9-,10+,11+,14?/m0/s1
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650n/an/an/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition constants with Met (L-methionine) substrate site of M-2 (kidney form) variant of rat Methionine adenosyltransferase


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50367675
PNG
(CHEMBL609500)
Show SMILES NC(CCSC[C@H](OP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C15H26N7O14P3S/c16-6(15(25)26)1-2-40-3-7(35-39(32,33)36-38(30,31)21-37(27,28)29)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,32,33)(H2,17,18,19)(H4,21,27,28,29,30,31)/t6?,7-,9-,10+,11+,14?/m0/s1
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670n/an/an/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition constants against Met (L-methionine)P substrate site of M-T (Novikoff Ascitic Hepatoma form) variant of rat Methionine adenosyltransferase


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50368140
PNG
(CHEMBL611854)
Show SMILES CCCCSc1ncnc2n(cnc12)C1O[C@H]([C@H](CSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H33N6O14P3S2/c1-2-3-5-44-17-12-16(21-8-22-17)25(9-23-12)18-14(27)13(26)15(37-18)11(7-43-6-4-10(20)19(28)29)38-42(35,36)39-41(33,34)24-40(30,31)32/h8-11,13-15,18,26-27H,2-7,20H2,1H3,(H,28,29)(H,35,36)(H4,24,30,31,32,33,34)/t10?,11-,13-,14+,15+,18?/m0/s1
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740n/an/an/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition constants against Met (L-methionine)P substrate site of M-T (Novikoff Ascitic Hepatoma form) variant of rat Methionine adenosyltransferase


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50368140
PNG
(CHEMBL611854)
Show SMILES CCCCSc1ncnc2n(cnc12)C1O[C@H]([C@H](CSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H33N6O14P3S2/c1-2-3-5-44-17-12-16(21-8-22-17)25(9-23-12)18-14(27)13(26)15(37-18)11(7-43-6-4-10(20)19(28)29)38-42(35,36)39-41(33,34)24-40(30,31)32/h8-11,13-15,18,26-27H,2-7,20H2,1H3,(H,28,29)(H,35,36)(H4,24,30,31,32,33,34)/t10?,11-,13-,14+,15+,18?/m0/s1
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2.90E+3n/an/an/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition constants with Met (L-methionine) substrate site of M-2 (kidney form) variant of rat Methionine adenosyltransferase


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM18134
PNG
(({[({[(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
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5.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant against rat kidney Methionine adenosyltransferase II


Citation and Details
More data for this
Ligand-Target Pair
S-Adenosylmethionine Synthase (AdoMet)


(Rattus norvegicus)
BDBM85447
PNG
(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
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7.00E+3 -30.6 5.00E+4n/an/an/an/a7.537



Laboratoire de chimie bioorganique



Assay Description
AdoMet synthetase activity was measured by a radioactive assay using (14C-methyl)-L-methionine as described by Sullivan and Hoffman with minor modifi...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50367305
PNG
(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
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9.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant against rat liver Methionine adenosyltransferase I, activity expressed as Ki


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50367303
PNG
(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
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1.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant against rat liver Methionine adenosyltransferase I, activity expressed as Ki


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50367042
PNG
(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
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1.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant against rat liver Methionine adenosyltransferase I


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50367328
PNG
(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
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1.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant was evaluated with kidney Methionine adenosyltransferase II form of rat methionine adenosyltransferase, when ATP was the variable...


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50367329
PNG
(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
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3.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant was evaluated with kidney Methionine adenosyltransferase II form of rat methionine adenosyltransferase, when ATP was the variable...


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50367329
PNG
(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
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3.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant was evaluated with kidney Methionine adenosyltransferase II form of rat methionine adenosyltransferase, when ATP was the variable...


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50367301
PNG
(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
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4.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant against rat kidney Methionine adenosyltransferase II, activity expressed as Ki


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50452293
PNG
(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
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4.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant was evaluated with kidney Methionine adenosyltransferase II form of rat methionine adenosyltransferase, when ATP was the variable...


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50070637
PNG
(CHEMBL295971 | L-2-amino-4-methoxy-cis-but-3-enoic...)
Show SMILES CO\C=C/[C@H](N)C(O)=O
Show InChI InChI=1S/C5H9NO3/c1-9-3-2-4(6)5(7)8/h2-4H,6H2,1H3,(H,7,8)/b3-2-/t4-/m0/s1
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5.60E+4n/an/an/an/an/an/an/an/a



U.M.R. 6519

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against recombinant S-adenosyl L-Methionine synthetase (alpha-isoform) in rat liver


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
S-Adenosylmethionine Synthase (AdoMet)


(Rattus norvegicus)
BDBM85448
PNG
(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
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6.10E+4 -25.0 1.00E+5n/an/an/an/a7.537



Laboratoire de chimie bioorganique



Assay Description
AdoMet synthetase activity was measured by a radioactive assay using (14C-methyl)-L-methionine as described by Sullivan and Hoffman with minor modifi...


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50367042
PNG
(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
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7.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant against rat kidney Methionine adenosyltransferase II


Citation and Details
More data for this
Ligand-Target Pair
S-Adenosylmethionine Synthase (AdoMet)


(Rattus norvegicus)
BDBM85450
PNG
(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
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1.00E+5 -23.7 1.40E+5n/an/an/an/a7.537



Laboratoire de chimie bioorganique



Assay Description
AdoMet synthetase activity was measured by a radioactive assay using (14C-methyl)-L-methionine as described by Sullivan and Hoffman with minor modifi...


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50368141
PNG
(CHEMBL610658)
Show SMILES CCCCSc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C14H23N4O13P3S/c1-2-3-4-35-13-9-12(15-6-16-13)18(7-17-9)14-11(20)10(19)8(29-14)5-28-33(24,25)31-34(26,27)30-32(21,22)23/h6-8,10-11,14,19-20H,2-5H2,1H3,(H,24,25)(H,26,27)(H2,21,22,23)/t8-,10-,11-,14?/m1/s1
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1.00E+5n/an/an/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition constants against ATP substrate site of M-T (Novikoff Ascitic Hepatoma form) variant of rat Methionine adenosyltransferase


Citation and Details
More data for this
Ligand-Target Pair
S-Adenosylmethionine Synthase (AdoMet)


(Rattus norvegicus)
BDBM85449
PNG
(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
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1.05E+5 -23.6 1.10E+5n/an/an/an/a7.537



Laboratoire de chimie bioorganique



Assay Description
AdoMet synthetase activity was measured by a radioactive assay using (14C-methyl)-L-methionine as described by Sullivan and Hoffman with minor modifi...


Citation and Details
More data for this
Ligand-Target Pair
S-Adenosylmethionine Synthase (AdoMet)


(Rattus norvegicus)
BDBM85451
PNG
(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
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1.40E+5 -22.9 3.00E+5n/an/an/an/a7.537



Laboratoire de chimie bioorganique



Assay Description
AdoMet synthetase activity was measured by a radioactive assay using (14C-methyl)-L-methionine as described by Sullivan and Hoffman with minor modifi...


Citation and Details
More data for this
Ligand-Target Pair
S-Adenosylmethionine Synthase (AdoMet)


(Rattus norvegicus)
BDBM85452
PNG
(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
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1.40E+5 -22.9 4.00E+5n/an/an/an/a7.537



Laboratoire de chimie bioorganique



Assay Description
AdoMet synthetase activity was measured by a radioactive assay using (14C-methyl)-L-methionine as described by Sullivan and Hoffman with minor modifi...


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50367331
PNG
(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
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1.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant was evaluated with kidney Methionine adenosyltransferase II form of rat methionine adenosyltransferase, when ATP was the variable...


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50026197
PNG
(Adenosine 5'-triphosphate derivative | CHEMBL10940...)
Show SMILES COC1C(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)OC1n1cnc2c(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)
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1.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant against rat kidney Methionine adenosyltransferase II, activity expressed as Ki


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50026193
PNG
(Adenosine 5'-triphosphate derivative | CHEMBL32664...)
Show SMILES COC1C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)OC(C1O)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)
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1.70E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant against rat kidney Methionine adenosyltransferase II, activity expressed as Ki


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50367305
PNG
(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
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1.90E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant against rat kidney Methionine adenosyltransferase II, activity expressed as Ki


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50367307
PNG
(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
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2.70E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant against rat kidney Methionine adenosyltransferase II, activity expressed as Ki


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50118221
PNG
(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
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3.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant against rat kidney Methionine adenosyltransferase II


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50368141
PNG
(CHEMBL610658)
Show SMILES CCCCSc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C14H23N4O13P3S/c1-2-3-4-35-13-9-12(15-6-16-13)18(7-17-9)14-11(20)10(19)8(29-14)5-28-33(24,25)31-34(26,27)30-32(21,22)23/h6-8,10-11,14,19-20H,2-5H2,1H3,(H,24,25)(H,26,27)(H2,21,22,23)/t8-,10-,11-,14?/m1/s1
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3.10E+5n/an/an/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition constants against ATP substrate site of M-2 (kidney form) variant of rat Methionine adenosyltransferase


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50367300
PNG
(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
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3.10E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant against rat kidney Methionine adenosyltransferase II, activity expressed as Ki


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50367303
PNG
(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
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4.10E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant against rat kidney Methionine adenosyltransferase II, activity expressed as Ki


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50025158
PNG
(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)
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5.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibitory activity against Methionine adenosyltransferase II


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50070638
PNG
(1-AMINOCYCLOPENTANECARBOXYLIC ACID | 1-Amino-cyclo...)
Show SMILES NC1(CCCC1)C(O)=O
Show InChI InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)
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5.16E+5n/an/an/an/an/an/an/an/a



U.M.R. 6519

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against recombinant S-adenosyl L-Methionine synthetase (alpha-isoform) in rat liver


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50367306
PNG
(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
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5.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant against rat kidney Methionine adenosyltransferase II


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50367304
PNG
(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
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5.30E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant against rat kidney Methionine adenosyltransferase II


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50118232
PNG
(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
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6.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant against rat kidney Methionine adenosyltransferase II


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50070635
PNG
((R)-3-Amino-tetrahydro-furan-3-carboxylic acid | C...)
Show SMILES N[C@@]1(CCOC1)C(O)=O
Show InChI InChI=1S/C5H9NO3/c6-5(4(7)8)1-2-9-3-5/h1-3,6H2,(H,7,8)/t5-/m1/s1
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7.50E+5n/an/an/an/an/an/an/an/a



U.M.R. 6519

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against recombinant S-adenosyl L-Methionine synthetase (alpha-isoform) in rat liver


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50070634
PNG
(4-Amino-tetrahydro-pyran-4-carboxylic acid | CHEMB...)
Show SMILES NC1(CCOCC1)C(O)=O
Show InChI InChI=1S/C6H11NO3/c7-6(5(8)9)1-3-10-4-2-6/h1-4,7H2,(H,8,9)
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1.00E+6n/an/an/an/an/an/an/an/a



U.M.R. 6519

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against recombinant S-adenosyl L-Methionine synthetase (alpha-isoform) in rat liver


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50070636
PNG
((S)-3-Amino-tetrahydro-thiophene-3-carboxylic acid...)
Show SMILES N[C@@]1(CCSC1)C(O)=O
Show InChI InChI=1S/C5H9NO2S/c6-5(4(7)8)1-2-9-3-5/h1-3,6H2,(H,7,8)/t5-/m1/s1
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1.04E+6n/an/an/an/an/an/an/an/a



U.M.R. 6519

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against recombinant S-adenosyl L-Methionine synthetase (alpha-isoform) in rat liver


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50025157
PNG
(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
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1.50E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibitory activity against M-2 Methionine adenosyltransferase II


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50025156
PNG
(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
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2.40E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibitory activity against Methionine adenosyltransferase II


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50070639
PNG
(4-Amino-tetrahydro-thiopyran-4-carboxylic acid | C...)
Show SMILES NC1(CCSCC1)C(O)=O
Show InChI InChI=1S/C6H11NO2S/c7-6(5(8)9)1-3-10-4-2-6/h1-4,7H2,(H,8,9)
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3.00E+6n/an/an/an/an/an/an/an/a



U.M.R. 6519

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against recombinant S-adenosyl L-Methionine synthetase (alpha-isoform) in rat liver


Citation and Details
More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50367306
PNG
(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
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3.30E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant against rat liver Methionine adenosyltransferase I


Citation and Details
More data for this
Ligand-Target Pair