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Compile Data Set for Download or QSAR

Found 355 hits with Last Name = 'hampton' and Initial = 'a'   
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
Adenylate kinase 2, mitochondrial


(Rattus norvegicus)
BDBM50367049
PNG
(CHEMBL604399)
Show SMILES CCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H33N10O22P5S/c1-2-60-22-30-11-17(24)26-6-28-19(11)32(22)21-15(36)13(34)9(50-21)4-48-56(39,40)52-58(43,44)54-59(45,46)53-57(41,42)51-55(37,38)47-3-8-12(33)14(35)20(49-8)31-7-29-10-16(23)25-5-27-18(10)31/h5-9,12-15,20-21,33-36H,2-4H2,1H3,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,23,25,27)(H2,24,26,28)/t8-,9-,12-,13-,14-,15-,20?,21?/m1/s1
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60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat adenylate kinase II was determined in the presence of AMP, competitive inhibition


J Med Chem 25: 1179-84 (1983)


BindingDB Entry DOI: 10.7270/Q25D8SD7
More data for this
Ligand-Target Pair
Adenylate kinase 2, mitochondrial


(Rattus norvegicus)
BDBM50367049
PNG
(CHEMBL604399)
Show SMILES CCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H33N10O22P5S/c1-2-60-22-30-11-17(24)26-6-28-19(11)32(22)21-15(36)13(34)9(50-21)4-48-56(39,40)52-58(43,44)54-59(45,46)53-57(41,42)51-55(37,38)47-3-8-12(33)14(35)20(49-8)31-7-29-10-16(23)25-5-27-18(10)31/h5-9,12-15,20-21,33-36H,2-4H2,1H3,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,23,25,27)(H2,24,26,28)/t8-,9-,12-,13-,14-,15-,20?,21?/m1/s1
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60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat adenylate kinase II was determined in the presence of AMP, competitive inhibition


J Med Chem 25: 1179-84 (1983)


BindingDB Entry DOI: 10.7270/Q25D8SD7
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50228186
PNG
(CHEMBL3706404)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H](CCSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O |r|
Show InChI InChI=1S/C16H28N7O14P3S/c17-7(16(26)27)1-3-41-4-2-8(36-40(33,34)37-39(31,32)22-38(28,29)30)12-10(24)11(25)15(35-12)23-6-21-9-13(18)19-5-20-14(9)23/h5-8,10-12,15,24-25H,1-4,17H2,(H,26,27)(H,33,34)(H2,18,19,20)(H4,22,28,29,30,31,32)/t7?,8-,10+,11-,12-,15-/m1/s1
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110n/an/an/an/an/an/an/an/a



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Compound was tested for inhibition constant with kidney form of M-2 variants of Rat methionine adenosyltransferase when ATP was the variable substrat...


J Med Chem 32: 885-90 (1989)


BindingDB Entry DOI: 10.7270/Q2K939Q8
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1


(Rattus norvegicus)
BDBM50368140
PNG
(CHEMBL3706401 | CHEMBL611854)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCCCC)ncnc12)[C@H](CSCC[C@H](N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O |r|
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 with Met (L-methionine) substrate site of M-2 (kidney form) variant of rat Methionine adenosyltransferase


J Med Chem 33: 2545-51 (1990)


BindingDB Entry DOI: 10.7270/Q2SJ1M6S
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1


(Rattus norvegicus)
BDBM50368140
PNG
(CHEMBL3706401 | CHEMBL611854)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCCCC)ncnc12)[C@H](CSCC[C@H](N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O |r|
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-T (Novikoff Ascitic Hepatoma form) variant of rat Methionine adenosyltransferase


J Med Chem 33: 2545-51 (1990)


BindingDB Entry DOI: 10.7270/Q2SJ1M6S
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50227269
PNG
(CHEMBL3706402)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H](CSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O |r|
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



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Inhibition constant of ATP varied compound was measured on M-2 variate Methionine adenosyltransferase in rat kidney


J Med Chem 31: 384-9 (1988)


BindingDB Entry DOI: 10.7270/Q2736T3C
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50227269
PNG
(CHEMBL3706402)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H](CSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O |r|
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



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Compound was tested for inhibition constant with kidney form of M-2 variants of Rat methionine adenosyltransferase when ATP was the variable substrat...


J Med Chem 32: 885-90 (1989)


BindingDB Entry DOI: 10.7270/Q2K939Q8
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50226974
PNG
(CHEMBL603986)
Show SMILES [H][C@@]1(OC([C@H](O)[C@@H]1O)n1cnc2C(N)N=CNc12)[C@@H](CSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)ONP(O)(O)=O |r,c:15|
Show InChI InChI=1S/C15H28N7O15P3S/c16-6(15(25)26)1-2-41-3-7(35-39(30,31)37-40(32,33)36-21-38(27,28)29)11-9(23)10(24)14(34-11)22-5-20-8-12(17)18-4-19-13(8)22/h4-7,9-12,14,23-24H,1-3,16-17H2,(H,18,19)(H,25,26)(H,30,31)(H,32,33)(H3,21,27,28,29)/t6?,7-,9+,10-,11-,12?,14?/m1/s1
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130n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constants of M-2 Forms of rat methionine adenosyltransferase using ATP as the variable substrate; Inhibition is competitive type


J Med Chem 30: 1599-603 (1987)


BindingDB Entry DOI: 10.7270/Q2CV4KZR
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1


(Rattus norvegicus)
BDBM50227269
PNG
(CHEMBL3706402)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H](CSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O |r|
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)


BindingDB Entry DOI: 10.7270/Q2SJ1M6S
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50228186
PNG
(CHEMBL3706404)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H](CCSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O |r|
Show InChI InChI=1S/C16H28N7O14P3S/c17-7(16(26)27)1-3-41-4-2-8(36-40(33,34)37-39(31,32)22-38(28,29)30)12-10(24)11(25)15(35-12)23-6-21-9-13(18)19-5-20-14(9)23/h5-8,10-12,15,24-25H,1-4,17H2,(H,26,27)(H,33,34)(H2,18,19,20)(H4,22,28,29,30,31,32)/t7?,8-,10+,11-,12-,15-/m1/s1
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160n/an/an/an/an/an/an/an/a



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Compound was tested for inhibition constant with kidney form of M-T variants of Rat methionine adenosyltransferase when ATP was the variable substrat...


J Med Chem 32: 885-90 (1989)


BindingDB Entry DOI: 10.7270/Q2K939Q8
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1


(Rattus norvegicus)
BDBM50227269
PNG
(CHEMBL3706402)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H](CSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O |r|
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 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)


BindingDB Entry DOI: 10.7270/Q2SJ1M6S
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50227269
PNG
(CHEMBL3706402)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H](CSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O |r|
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



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Compound was tested for inhibition constant with kidney form of M-T variants of Rat methionine adenosyltransferase when ATP was the variable substrat...


J Med Chem 32: 885-90 (1989)


BindingDB Entry DOI: 10.7270/Q2K939Q8
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50227269
PNG
(CHEMBL3706402)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H](CSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O |r|
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



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Inhibition constant of ATP varied compound was measured on MT variant methionine adenosyltransferase in rat ascitic hepatoma cells


J Med Chem 31: 384-9 (1988)


BindingDB Entry DOI: 10.7270/Q2736T3C
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50226974
PNG
(CHEMBL603986)
Show SMILES [H][C@@]1(OC([C@H](O)[C@@H]1O)n1cnc2C(N)N=CNc12)[C@@H](CSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)ONP(O)(O)=O |r,c:15|
Show InChI InChI=1S/C15H28N7O15P3S/c16-6(15(25)26)1-2-41-3-7(35-39(30,31)37-40(32,33)36-21-38(27,28)29)11-9(23)10(24)14(34-11)22-5-20-8-12(17)18-4-19-13(8)22/h4-7,9-12,14,23-24H,1-3,16-17H2,(H,18,19)(H,25,26)(H,30,31)(H,32,33)(H3,21,27,28,29)/t6?,7-,9+,10-,11-,12?,14?/m1/s1
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210n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constants of MT Forms of rat Novikoff Ascitic Hepatomae using ATP as the variable substrate; Inhibition is competitive type


J Med Chem 30: 1599-603 (1987)


BindingDB Entry DOI: 10.7270/Q2CV4KZR
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50228185
PNG
(CHEMBL3706405)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H](CCSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O |r|
Show InChI InChI=1S/C16H28N7O14P3S/c17-7(16(26)27)1-3-41-4-2-8(36-40(33,34)37-39(31,32)22-38(28,29)30)12-10(24)11(25)15(35-12)23-6-21-9-13(18)19-5-20-14(9)23/h5-8,10-12,15,24-25H,1-4,17H2,(H,26,27)(H,33,34)(H2,18,19,20)(H4,22,28,29,30,31,32)/t7?,8-,10-,11+,12+,15+/m0/s1
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270n/an/an/an/an/an/an/an/a



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Compound was tested for inhibition constant with kidney form of M-2 variants of Rat methionine adenosyltransferase when ATP was the variable substrat...


J Med Chem 32: 885-90 (1989)


BindingDB Entry DOI: 10.7270/Q2K939Q8
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50226770
PNG
(CHEMBL609078)
Show SMILES [H][C@@]1(OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H](CNP(O)(=O)OP(O)(=O)OP(O)(O)=O)SCCC(N)C(O)=O |r|
Show InChI InChI=1S/C15H26N7O14P3S/c16-6(15(25)26)1-2-40-7(3-21-37(27,28)35-39(32,33)36-38(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,32,33)(H2,17,18,19)(H2,21,27,28)(H2,29,30,31)/t6?,7-,9-,10+,11+,14?/m0/s1
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270n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant of compound with Novikoff ascitic hepatoma (M-T) form of rat methionine adenosyltransferase when ATP was used as variable substra...


J Med Chem 30: 888-94 (1987)


BindingDB Entry DOI: 10.7270/Q22J6F29
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50226972
PNG
(CHEMBL606493)
Show SMILES [H][C@@]1(OC([C@H](O)[C@@H]1O)n1cnc2C(N)N=CNc12)[C@H](CNP(O)(=O)OP(O)(=O)OP(O)(O)=O)SCCC(N)C(O)=O |r,c:15|
Show InChI InChI=1S/C15H28N7O14P3S/c16-6(15(25)26)1-2-40-7(3-21-37(27,28)35-39(32,33)36-38(29,30)31)11-9(23)10(24)14(34-11)22-5-20-8-12(17)18-4-19-13(8)22/h4-7,9-12,14,23-24H,1-3,16-17H2,(H,18,19)(H,25,26)(H,32,33)(H2,21,27,28)(H2,29,30,31)/t6?,7-,9-,10+,11+,12?,14?/m0/s1
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270n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constants of MT Forms of rat Novikoff Ascitic Hepatomae using ATP as the variable substrate; Inhibition is competitive type


J Med Chem 30: 1599-603 (1987)


BindingDB Entry DOI: 10.7270/Q2CV4KZR
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50226768
PNG
(CHEMBL1791426)
Show SMILES [H][C@](CNP(O)(=O)OP(O)(=O)OP(O)(O)=O)(SCCC(N)C(O)=O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C15H26N7O14P3S/c16-6(15(25)26)1-2-40-7(3-21-37(27,28)35-39(32,33)36-38(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,32,33)(H2,17,18,19)(H2,21,27,28)(H2,29,30,31)/t6?,7-,9+,10-,11-,14-/m1/s1
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270n/an/an/an/an/an/an/an/a



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Inhibition constant of ATP varied compound was measured on MT variant methionine adenosyltransferase in rat ascitic hepatoma cells


J Med Chem 31: 384-9 (1988)


BindingDB Entry DOI: 10.7270/Q2736T3C
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50226770
PNG
(CHEMBL609078)
Show SMILES [H][C@@]1(OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H](CNP(O)(=O)OP(O)(=O)OP(O)(O)=O)SCCC(N)C(O)=O |r|
Show InChI InChI=1S/C15H26N7O14P3S/c16-6(15(25)26)1-2-40-7(3-21-37(27,28)35-39(32,33)36-38(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,32,33)(H2,17,18,19)(H2,21,27,28)(H2,29,30,31)/t6?,7-,9-,10+,11+,14?/m0/s1
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360n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant of compound with kidney (M-2) form of rat methionine adenosyltransferase when ATP was used as variable substrate;Competitive type...


J Med Chem 30: 888-94 (1987)


BindingDB Entry DOI: 10.7270/Q22J6F29
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50226768
PNG
(CHEMBL1791426)
Show SMILES [H][C@](CNP(O)(=O)OP(O)(=O)OP(O)(O)=O)(SCCC(N)C(O)=O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C15H26N7O14P3S/c16-6(15(25)26)1-2-40-7(3-21-37(27,28)35-39(32,33)36-38(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,32,33)(H2,17,18,19)(H2,21,27,28)(H2,29,30,31)/t6?,7-,9+,10-,11-,14-/m1/s1
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360n/an/an/an/an/an/an/an/a



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Inhibition constant of ATP varied compound was measured on M-2 variate methionine adenosyltransferase in rat kidney


J Med Chem 31: 384-9 (1988)


BindingDB Entry DOI: 10.7270/Q2736T3C
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50226972
PNG
(CHEMBL606493)
Show SMILES [H][C@@]1(OC([C@H](O)[C@@H]1O)n1cnc2C(N)N=CNc12)[C@H](CNP(O)(=O)OP(O)(=O)OP(O)(O)=O)SCCC(N)C(O)=O |r,c:15|
Show InChI InChI=1S/C15H28N7O14P3S/c16-6(15(25)26)1-2-40-7(3-21-37(27,28)35-39(32,33)36-38(29,30)31)11-9(23)10(24)14(34-11)22-5-20-8-12(17)18-4-19-13(8)22/h4-7,9-12,14,23-24H,1-3,16-17H2,(H,18,19)(H,25,26)(H,32,33)(H2,21,27,28)(H2,29,30,31)/t6?,7-,9-,10+,11+,12?,14?/m0/s1
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360n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constants of M-2 Forms of rat methionine adenosyltransferase using ATP as the variable substrate; Inhibition is competitive type


J Med Chem 30: 1599-603 (1987)


BindingDB Entry DOI: 10.7270/Q2CV4KZR
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50227270
PNG
(CHEMBL3706403)
Show SMILES N[C@@H](CCSCC(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP(O)(=O)OP(O)(=O)NP(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C16H28N7O14P3S/c17-8(16(26)27)1-2-41-4-7(36-40(33,34)37-39(31,32)22-38(28,29)30)3-9-11(24)12(25)15(35-9)23-6-21-10-13(18)19-5-20-14(10)23/h5-9,11-12,15,24-25H,1-4,17H2,(H,26,27)(H,33,34)(H2,18,19,20)(H4,22,28,29,30,31,32)/t7?,8-,9+,11+,12+,15+/m0/s1
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390n/an/an/an/an/an/an/an/a



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Inhibition constant of ATP varied compound was measured on M-2 variate methionine adenosyltransferase in rat kidney


J Med Chem 31: 384-9 (1988)


BindingDB Entry DOI: 10.7270/Q2736T3C
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50228185
PNG
(CHEMBL3706405)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H](CCSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O |r|
Show InChI InChI=1S/C16H28N7O14P3S/c17-7(16(26)27)1-3-41-4-2-8(36-40(33,34)37-39(31,32)22-38(28,29)30)12-10(24)11(25)15(35-12)23-6-21-9-13(18)19-5-20-14(9)23/h5-8,10-12,15,24-25H,1-4,17H2,(H,26,27)(H,33,34)(H2,18,19,20)(H4,22,28,29,30,31,32)/t7?,8-,10-,11+,12+,15+/m0/s1
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410n/an/an/an/an/an/an/an/a



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Compound was tested for inhibition constant with kidney form of M-T variants of Rat methionine adenosyltransferase when ATP was the variable substrat...


J Med Chem 32: 885-90 (1989)


BindingDB Entry DOI: 10.7270/Q2K939Q8
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50227271
PNG
(CHEMBL1791425)
Show SMILES NC(CCSC(CCOP(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 |r|
Show InChI InChI=1S/C16H28N7O14P3S/c17-7(16(26)27)2-4-41-8(1-3-35-40(33,34)37-39(31,32)22-38(28,29)30)12-10(24)11(25)15(36-12)23-6-21-9-13(18)19-5-20-14(9)23/h5-8,10-12,15,24-25H,1-4,17H2,(H,26,27)(H,33,34)(H2,18,19,20)(H4,22,28,29,30,31,32)/t7?,8?,10-,11+,12+,15+/m0/s1
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440n/an/an/an/an/an/an/an/a



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Inhibition constant of ATP varied compound was measured on M-2 variate methionine adenosyltransferase in rat kidney


J Med Chem 31: 384-9 (1988)


BindingDB Entry DOI: 10.7270/Q2736T3C
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50227270
PNG
(CHEMBL3706403)
Show SMILES N[C@@H](CCSCC(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP(O)(=O)OP(O)(=O)NP(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C16H28N7O14P3S/c17-8(16(26)27)1-2-41-4-7(36-40(33,34)37-39(31,32)22-38(28,29)30)3-9-11(24)12(25)15(35-9)23-6-21-10-13(18)19-5-20-14(10)23/h5-9,11-12,15,24-25H,1-4,17H2,(H,26,27)(H,33,34)(H2,18,19,20)(H4,22,28,29,30,31,32)/t7?,8-,9+,11+,12+,15+/m0/s1
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630n/an/an/an/an/an/an/an/a



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Inhibition constant of ATP varied compound was measured on MT variant methionine adenosyltransferase in rat ascitic hepatoma cells


J Med Chem 31: 384-9 (1988)


BindingDB Entry DOI: 10.7270/Q2736T3C
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50227269
PNG
(CHEMBL3706402)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H](CSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O |r|
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



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Inhibition constant of Met varied compound was measured on M-2 variant Methionine adenosyltransferase in rat kidney


J Med Chem 31: 384-9 (1988)


BindingDB Entry DOI: 10.7270/Q2736T3C
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50227269
PNG
(CHEMBL3706402)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H](CSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O |r|
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



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Compound was tested for inhibition constant with kidney form of M-2 variants of Rat methionine adenosyltransferase when Methionine was the variable s...


J Med Chem 32: 885-90 (1989)


BindingDB Entry DOI: 10.7270/Q2K939Q8
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50226974
PNG
(CHEMBL603986)
Show SMILES [H][C@@]1(OC([C@H](O)[C@@H]1O)n1cnc2C(N)N=CNc12)[C@@H](CSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)ONP(O)(O)=O |r,c:15|
Show InChI InChI=1S/C15H28N7O15P3S/c16-6(15(25)26)1-2-41-3-7(35-39(30,31)37-40(32,33)36-21-38(27,28)29)11-9(23)10(24)14(34-11)22-5-20-8-12(17)18-4-19-13(8)22/h4-7,9-12,14,23-24H,1-3,16-17H2,(H,18,19)(H,25,26)(H,30,31)(H,32,33)(H3,21,27,28,29)/t6?,7-,9+,10-,11-,12?,14?/m1/s1
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650n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constants of M-2 Forms of rat methionine adenosyltransferase using Methionine as the variable substrate; Inhibition is non competitive typ...


J Med Chem 30: 1599-603 (1987)


BindingDB Entry DOI: 10.7270/Q2CV4KZR
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1


(Rattus norvegicus)
BDBM50227269
PNG
(CHEMBL3706402)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H](CSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O |r|
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
PDB
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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)


BindingDB Entry DOI: 10.7270/Q2SJ1M6S
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50227269
PNG
(CHEMBL3706402)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H](CSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O |r|
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



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Inhibition constant of Met varied compound was measured on MT variant methionine adenosyltransferase in rat ascitic hepatoma cells


J Med Chem 31: 384-9 (1988)


BindingDB Entry DOI: 10.7270/Q2736T3C
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50227269
PNG
(CHEMBL3706402)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H](CSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O |r|
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



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Compound was tested for inhibition constant with kidney form of M-T variants of Rat methionine adenosyltransferase when Methionine was the variable s...


J Med Chem 32: 885-90 (1989)


BindingDB Entry DOI: 10.7270/Q2K939Q8
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50226974
PNG
(CHEMBL603986)
Show SMILES [H][C@@]1(OC([C@H](O)[C@@H]1O)n1cnc2C(N)N=CNc12)[C@@H](CSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)ONP(O)(O)=O |r,c:15|
Show InChI InChI=1S/C15H28N7O15P3S/c16-6(15(25)26)1-2-41-3-7(35-39(30,31)37-40(32,33)36-21-38(27,28)29)11-9(23)10(24)14(34-11)22-5-20-8-12(17)18-4-19-13(8)22/h4-7,9-12,14,23-24H,1-3,16-17H2,(H,18,19)(H,25,26)(H,30,31)(H,32,33)(H3,21,27,28,29)/t6?,7-,9+,10-,11-,12?,14?/m1/s1
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670n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constants of MT Forms of rat Novikoff Ascitic Hepatomae using Methionine as the variable substrate; Inhibition is non competitive type


J Med Chem 30: 1599-603 (1987)


BindingDB Entry DOI: 10.7270/Q2CV4KZR
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1


(Rattus norvegicus)
BDBM50227269
PNG
(CHEMBL3706402)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H](CSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O |r|
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)


BindingDB Entry DOI: 10.7270/Q2SJ1M6S
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1


(Rattus norvegicus)
BDBM50368140
PNG
(CHEMBL3706401 | CHEMBL611854)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCCCC)ncnc12)[C@H](CSCC[C@H](N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O |r|
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)


BindingDB Entry DOI: 10.7270/Q2SJ1M6S
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50227271
PNG
(CHEMBL1791425)
Show SMILES NC(CCSC(CCOP(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 |r|
Show InChI InChI=1S/C16H28N7O14P3S/c17-7(16(26)27)2-4-41-8(1-3-35-40(33,34)37-39(31,32)22-38(28,29)30)12-10(24)11(25)15(36-12)23-6-21-9-13(18)19-5-20-14(9)23/h5-8,10-12,15,24-25H,1-4,17H2,(H,26,27)(H,33,34)(H2,18,19,20)(H4,22,28,29,30,31,32)/t7?,8?,10-,11+,12+,15+/m0/s1
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810n/an/an/an/an/an/an/an/a



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Inhibition constant of ATP varied compound was measured on MT variant methionine adenosyltransferase in rat ascitic hepatoma cells


J Med Chem 31: 384-9 (1988)


BindingDB Entry DOI: 10.7270/Q2736T3C
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50228186
PNG
(CHEMBL3706404)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H](CCSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O |r|
Show InChI InChI=1S/C16H28N7O14P3S/c17-7(16(26)27)1-3-41-4-2-8(36-40(33,34)37-39(31,32)22-38(28,29)30)12-10(24)11(25)15(35-12)23-6-21-9-13(18)19-5-20-14(9)23/h5-8,10-12,15,24-25H,1-4,17H2,(H,26,27)(H,33,34)(H2,18,19,20)(H4,22,28,29,30,31,32)/t7?,8-,10+,11-,12-,15-/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Compound was tested for inhibition constant with kidney form of M-T variants of Rat methionine adenosyltransferase when Methionine was the variable s...


J Med Chem 32: 885-90 (1989)


BindingDB Entry DOI: 10.7270/Q2K939Q8
More data for this
Ligand-Target Pair
Adenylate kinase 2, mitochondrial


(Rattus norvegicus)
BDBM50367044
PNG
(CHEMBL605639)
Show SMILES CCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)O[C@H](C)[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C23H35N10O22P5S/c1-3-61-23-31-11-18(25)27-6-29-20(11)33(23)22-14(36)12(34)9(49-22)4-48-56(38,39)52-58(42,43)54-60(46,47)55-59(44,45)53-57(40,41)51-8(2)16-13(35)15(37)21(50-16)32-7-30-10-17(24)26-5-28-19(10)32/h5-9,12-16,21-22,34-37H,3-4H2,1-2H3,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H2,24,26,28)(H2,25,27,29)/t8-,9-,12-,13+,14-,15-,16-,21?,22?/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat Adenylate kinase M isoenzyme in the presence of AMP non competitive inhibition


J Med Chem 25: 1179-84 (1983)


BindingDB Entry DOI: 10.7270/Q25D8SD7
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50227271
PNG
(CHEMBL1791425)
Show SMILES NC(CCSC(CCOP(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 |r|
Show InChI InChI=1S/C16H28N7O14P3S/c17-7(16(26)27)2-4-41-8(1-3-35-40(33,34)37-39(31,32)22-38(28,29)30)12-10(24)11(25)15(36-12)23-6-21-9-13(18)19-5-20-14(9)23/h5-8,10-12,15,24-25H,1-4,17H2,(H,26,27)(H,33,34)(H2,18,19,20)(H4,22,28,29,30,31,32)/t7?,8?,10-,11+,12+,15+/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Inhibition constant of Met varied compound was measured on MT variant methionine adenosyltransferase in rat ascitic hepatoma cells


J Med Chem 31: 384-9 (1988)


BindingDB Entry DOI: 10.7270/Q2736T3C
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50228186
PNG
(CHEMBL3706404)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H](CCSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O |r|
Show InChI InChI=1S/C16H28N7O14P3S/c17-7(16(26)27)1-3-41-4-2-8(36-40(33,34)37-39(31,32)22-38(28,29)30)12-10(24)11(25)15(35-12)23-6-21-9-13(18)19-5-20-14(9)23/h5-8,10-12,15,24-25H,1-4,17H2,(H,26,27)(H,33,34)(H2,18,19,20)(H4,22,28,29,30,31,32)/t7?,8-,10+,11-,12-,15-/m1/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Compound was tested for inhibition constant with kidney form of M-2 variants of Rat methionine adenosyltransferase when Methionine was the variable s...


J Med Chem 32: 885-90 (1989)


BindingDB Entry DOI: 10.7270/Q2K939Q8
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50227271
PNG
(CHEMBL1791425)
Show SMILES NC(CCSC(CCOP(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 |r|
Show InChI InChI=1S/C16H28N7O14P3S/c17-7(16(26)27)2-4-41-8(1-3-35-40(33,34)37-39(31,32)22-38(28,29)30)12-10(24)11(25)15(36-12)23-6-21-9-13(18)19-5-20-14(9)23/h5-8,10-12,15,24-25H,1-4,17H2,(H,26,27)(H,33,34)(H2,18,19,20)(H4,22,28,29,30,31,32)/t7?,8?,10-,11+,12+,15+/m0/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Inhibition constant of Met varied compound was measured on M-2 variant methionine adenosyltransferase in rat kidney


J Med Chem 31: 384-9 (1988)


BindingDB Entry DOI: 10.7270/Q2736T3C
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50227270
PNG
(CHEMBL3706403)
Show SMILES N[C@@H](CCSCC(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP(O)(=O)OP(O)(=O)NP(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C16H28N7O14P3S/c17-8(16(26)27)1-2-41-4-7(36-40(33,34)37-39(31,32)22-38(28,29)30)3-9-11(24)12(25)15(35-9)23-6-21-10-13(18)19-5-20-14(10)23/h5-9,11-12,15,24-25H,1-4,17H2,(H,26,27)(H,33,34)(H2,18,19,20)(H4,22,28,29,30,31,32)/t7?,8-,9+,11+,12+,15+/m0/s1
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2.20E+3n/an/an/an/an/an/an/an/a



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Inhibition constant of Met varied compound was measured on M-2 variant methionine adenosyltransferase in rat kidney


J Med Chem 31: 384-9 (1988)


BindingDB Entry DOI: 10.7270/Q2736T3C
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50226768
PNG
(CHEMBL1791426)
Show SMILES [H][C@](CNP(O)(=O)OP(O)(=O)OP(O)(O)=O)(SCCC(N)C(O)=O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C15H26N7O14P3S/c16-6(15(25)26)1-2-40-7(3-21-37(27,28)35-39(32,33)36-38(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,32,33)(H2,17,18,19)(H2,21,27,28)(H2,29,30,31)/t6?,7-,9+,10-,11-,14-/m1/s1
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2.30E+3n/an/an/an/an/an/an/an/a



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Inhibition constant of Met varied compound was measured on MT variant methionine adenosyltransferase in rat ascitic hepatoma cells


J Med Chem 31: 384-9 (1988)


BindingDB Entry DOI: 10.7270/Q2736T3C
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50226770
PNG
(CHEMBL609078)
Show SMILES [H][C@@]1(OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H](CNP(O)(=O)OP(O)(=O)OP(O)(O)=O)SCCC(N)C(O)=O |r|
Show InChI InChI=1S/C15H26N7O14P3S/c16-6(15(25)26)1-2-40-7(3-21-37(27,28)35-39(32,33)36-38(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,32,33)(H2,17,18,19)(H2,21,27,28)(H2,29,30,31)/t6?,7-,9-,10+,11+,14?/m0/s1
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2.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant of compound with Novikoff ascitic hepatoma (M-T) form of rat methionine adenosyltransferase when methionine was used as variable ...


J Med Chem 30: 888-94 (1987)


BindingDB Entry DOI: 10.7270/Q22J6F29
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50226972
PNG
(CHEMBL606493)
Show SMILES [H][C@@]1(OC([C@H](O)[C@@H]1O)n1cnc2C(N)N=CNc12)[C@H](CNP(O)(=O)OP(O)(=O)OP(O)(O)=O)SCCC(N)C(O)=O |r,c:15|
Show InChI InChI=1S/C15H28N7O14P3S/c16-6(15(25)26)1-2-40-7(3-21-37(27,28)35-39(32,33)36-38(29,30)31)11-9(23)10(24)14(34-11)22-5-20-8-12(17)18-4-19-13(8)22/h4-7,9-12,14,23-24H,1-3,16-17H2,(H,18,19)(H,25,26)(H,32,33)(H2,21,27,28)(H2,29,30,31)/t6?,7-,9-,10+,11+,12?,14?/m0/s1
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2.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constants of MT Forms of rat Novikoff Ascitic Hepatomae using Methionine as the variable substrate; Inhibition is non competitive type


J Med Chem 30: 1599-603 (1987)


BindingDB Entry DOI: 10.7270/Q2CV4KZR
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Rattus norvegicus)
BDBM50132297
PNG
(1-((2R,4S,5R)-5-(aminomethyl)-4-hydroxy-tetrahydro...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CN)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15N3O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


J Med Chem 25: 644-9 (1982)


BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50227270
PNG
(CHEMBL3706403)
Show SMILES N[C@@H](CCSCC(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP(O)(=O)OP(O)(=O)NP(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C16H28N7O14P3S/c17-8(16(26)27)1-2-41-4-7(36-40(33,34)37-39(31,32)22-38(28,29)30)3-9-11(24)12(25)15(35-9)23-6-21-10-13(18)19-5-20-14(10)23/h5-9,11-12,15,24-25H,1-4,17H2,(H,26,27)(H,33,34)(H2,18,19,20)(H4,22,28,29,30,31,32)/t7?,8-,9+,11+,12+,15+/m0/s1
PDB

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2.70E+3n/an/an/an/an/an/an/an/a



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Inhibition constant of Met varied compound was measured on MT variant methionine adenosyltransferase in rat ascitic hepatoma cells


J Med Chem 31: 384-9 (1988)


BindingDB Entry DOI: 10.7270/Q2736T3C
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50228185
PNG
(CHEMBL3706405)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H](CCSCCC(N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O |r|
Show InChI InChI=1S/C16H28N7O14P3S/c17-7(16(26)27)1-3-41-4-2-8(36-40(33,34)37-39(31,32)22-38(28,29)30)12-10(24)11(25)15(35-12)23-6-21-9-13(18)19-5-20-14(9)23/h5-8,10-12,15,24-25H,1-4,17H2,(H,26,27)(H,33,34)(H2,18,19,20)(H4,22,28,29,30,31,32)/t7?,8-,10-,11+,12+,15+/m0/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Fox Chase Cancer Center

Curated by ChEMBL


Assay Description
Compound was tested for inhibition constant with kidney form of M-T variants of Rat methionine adenosyltransferase when Methionine was the variable s...


J Med Chem 32: 885-90 (1989)


BindingDB Entry DOI: 10.7270/Q2K939Q8
More data for this
Ligand-Target Pair
Adenylate kinase 2, mitochondrial


(Rattus norvegicus)
BDBM50367044
PNG
(CHEMBL605639)
Show SMILES CCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)O[C@H](C)[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C23H35N10O22P5S/c1-3-61-23-31-11-18(25)27-6-29-20(11)33(23)22-14(36)12(34)9(49-22)4-48-56(38,39)52-58(42,43)54-60(46,47)55-59(44,45)53-57(40,41)51-8(2)16-13(35)15(37)21(50-16)32-7-30-10-17(24)26-5-28-19(10)32/h5-9,12-16,21-22,34-37H,3-4H2,1-2H3,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H2,24,26,28)(H2,25,27,29)/t8-,9-,12-,13+,14-,15-,16-,21?,22?/m1/s1
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2.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat adenylate kinase II was determined in the presence of AMP, non competitive inhibition


J Med Chem 25: 1179-84 (1983)


BindingDB Entry DOI: 10.7270/Q25D8SD7
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1


(Rattus norvegicus)
BDBM50368140
PNG
(CHEMBL3706401 | CHEMBL611854)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCCCC)ncnc12)[C@H](CSCC[C@H](N)C(O)=O)OP(O)(=O)OP(O)(=O)NP(O)(O)=O |r|
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
PDB
MMDB

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


J Med Chem 33: 2545-51 (1990)


BindingDB Entry DOI: 10.7270/Q2SJ1M6S
More data for this
Ligand-Target Pair
S-adenosylmethionine synthase isoform type-1/type-2


(Rattus norvegicus)
BDBM50226770
PNG
(CHEMBL609078)
Show SMILES [H][C@@]1(OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H](CNP(O)(=O)OP(O)(=O)OP(O)(O)=O)SCCC(N)C(O)=O |r|
Show InChI InChI=1S/C15H26N7O14P3S/c16-6(15(25)26)1-2-40-7(3-21-37(27,28)35-39(32,33)36-38(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,32,33)(H2,17,18,19)(H2,21,27,28)(H2,29,30,31)/t6?,7-,9-,10+,11+,14?/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant of compound with kidney (M-2) form of rat methionine adenosyltransferase when methionine was used as variable substrate;Simple no...


J Med Chem 30: 888-94 (1987)


BindingDB Entry DOI: 10.7270/Q22J6F29
More data for this
Ligand-Target Pair
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