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Compile Data Set for Download or QSAR

Found 20 hits of ki data for polymerid = 50001153   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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


J Med Chem 33: 2545-51 (1990)

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


J Med Chem 33: 2545-51 (1990)

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


J Med Chem 33: 2545-51 (1990)

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


J Med Chem 33: 2545-51 (1990)

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


J Med Chem 33: 2545-51 (1990)

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


J Med Chem 33: 2545-51 (1990)

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


J Med Chem 33: 2545-51 (1990)

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


J Med Chem 33: 2545-51 (1990)

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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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


J Med Chem 29: 318-22 (1986)

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


J Med Chem 29: 318-22 (1986)

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


J Med Chem 29: 318-22 (1986)

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


Bioorg Med Chem Lett 8: 1629-34 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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


J Med Chem 33: 2545-51 (1990)

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


J Med Chem 33: 2545-51 (1990)

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


Bioorg Med Chem Lett 8: 1629-34 (1999)

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


Bioorg Med Chem Lett 8: 1629-34 (1999)

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


Bioorg Med Chem Lett 8: 1629-34 (1999)

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


Bioorg Med Chem Lett 8: 1629-34 (1999)

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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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Purchase

CHEMBL
PC cid
PC sid
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PubMed
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


Bioorg Med Chem Lett 8: 1629-34 (1999)

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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
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


J Med Chem 29: 318-22 (1986)

More data for this
Ligand-Target Pair