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Compile Data Set for Download or QSAR

Found 34 hits of ki data for polymerid = 50002334   
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
Adenylate kinase 1


(Rattus norvegicus)
BDBM50367038
PNG
(CHEMBL604815)
Show SMILES CCC[C@H](OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1OC([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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3.00E+5n/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 competitive inhibition


J Med Chem 25: 1179-84 (1983)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50366480
PNG
(ADENOSINE TRIPHOSPHATE | ATP)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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5.70E+5n/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 ATP non competitive inhibition


J Med Chem 25: 1179-84 (1983)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM18137
PNG
(AMP | CHEMBL752 | [(2R,3S,4R,5R)-5-adenin-9-yl-3,4...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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5.80E+5n/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


J Med Chem 25: 1179-84 (1983)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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5.80E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat Adenylate kinase M isoenzyme was determined in the presence of ATP, Competitive inhibition


J Med Chem 25: 1179-84 (1983)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50367104
PNG
(CHEMBL607646)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@@](COP(O)(O)=O)(CC=C)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C13H18N5O7P/c1-2-3-13(4-24-26(21,22)23)9(20)8(19)12(25-13)18-6-17-7-10(14)15-5-16-11(7)18/h2,5-6,8-9,12,19-20H,1,3-4H2,(H2,14,15,16)(H2,21,22,23)/t8-,9+,12?,13-/m1/s1
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6.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibitory constant with Rat adenylate kinase M isozyme


J Med Chem 25: 806-12 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50367103
PNG
(CHEMBL608483)
Show SMILES CC[C@H](OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H18N5O7P/c1-2-5(24-25(20,21)22)9-7(18)8(19)12(23-9)17-4-16-6-10(13)14-3-15-11(6)17/h3-5,7-9,12,18-19H,2H2,1H3,(H2,13,14,15)(H2,20,21,22)/t5-,7-,8+,9+,12?/m0/s1
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9.10E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibitory constant with Rat adenylate kinase M isozyme


J Med Chem 25: 806-12 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50367098
PNG
(CHEMBL607630)
Show SMILES CCC[C@H](OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H20N5O7P/c1-2-3-6(25-26(21,22)23)10-8(19)9(20)13(24-10)18-5-17-7-11(14)15-4-16-12(7)18/h4-6,8-10,13,19-20H,2-3H2,1H3,(H2,14,15,16)(H2,21,22,23)/t6-,8-,9+,10+,13?/m0/s1
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1.40E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibitory constant with Rat adenylate kinase M isozyme


J Med Chem 25: 806-12 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50027451
PNG
(CHEMBL166430 | Phosphoric acid mono-[5-(6-amino-pu...)
Show SMILES COC1C(COP(O)(O)=O)OC(C1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H16N5O7P/c1-21-8-5(2-22-24(18,19)20)23-11(7(8)17)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H2,12,13,14)(H2,18,19,20)
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1.70E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibitory constant with Rat adenylate kinase M isozyme


J Med Chem 25: 806-12 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50367039
PNG
(CHEMBL604398)
Show SMILES C[C@@H](OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1OC([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?/m1/s1
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1.80E+6n/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 ATP


J Med Chem 25: 1179-84 (1983)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50367037
PNG
(CHEMBL606008)
Show SMILES C[C@H](OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1OC([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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1.80E+6n/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 ATP non competitive inhibition


J Med Chem 25: 1179-84 (1983)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50367109
PNG
(CHEMBL608484)
Show SMILES C[C@H](OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H16N5O7P/c1-4(23-24(19,20)21)8-6(17)7(18)11(22-8)16-3-15-5-9(12)13-2-14-10(5)16/h2-4,6-8,11,17-18H,1H3,(H2,12,13,14)(H2,19,20,21)/t4-,6-,7+,8+,11?/m0/s1
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2.10E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibitory constant with Rat adenylate kinase M isozyme


J Med Chem 25: 806-12 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50367107
PNG
(CHEMBL610643)
Show SMILES Nc1nc(Cl)nc2n(cnc12)C1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13ClN5O7P/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,14,15)(H2,19,20,21)/t3-,5-,6-,9?/m1/s1
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2.30E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive Inhibitory constant of compound with Rat adenylate kinase M isozyme


J Med Chem 25: 806-12 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50027448
PNG
(CHEMBL167355 | Phosphoric acid mono-[6-(6-amino-pu...)
Show SMILES CC1(C)OC2C(COP(O)(O)=O)OC(C2O1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H18N5O7P/c1-13(2)24-8-6(3-22-26(19,20)21)23-12(9(8)25-13)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,12H,3H2,1-2H3,(H2,14,15,16)(H2,19,20,21)
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2.30E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibitory constant with Rat adenylate kinase M isozyme


J Med Chem 25: 806-12 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50367102
PNG
(CHEMBL608353)
Show SMILES CC(=O)NCCNc1ncnc2n(cnc12)C1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C14H21N6O8P/c1-7(21)15-2-3-16-12-9-13(18-5-17-12)20(6-19-9)14-11(23)10(22)8(28-14)4-27-29(24,25)26/h5-6,8,10-11,14,22-23H,2-4H2,1H3,(H,15,21)(H,16,17,18)(H2,24,25,26)/t8-,10-,11-,14?/m1/s1
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3.10E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibitory constant of compound with Rat adenylate kinase M isozyme


J Med Chem 25: 806-12 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50367099
PNG
(CHEMBL609484)
Show SMILES CSc1nc(N)c2ncn(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C11H16N5O7PS/c1-25-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(23-10)2-22-24(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10?/m1/s1
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3.20E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive Inhibitory constant of compound with Rat adenylate kinase M isozyme


J Med Chem 25: 806-12 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50367110
PNG
(CHEMBL609073)
Show SMILES CN(C)c1nc(N)c2ncn(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C12H19N6O7P/c1-17(2)12-15-9(13)6-10(16-12)18(4-14-6)11-8(20)7(19)5(25-11)3-24-26(21,22)23/h4-5,7-8,11,19-20H,3H2,1-2H3,(H2,13,15,16)(H2,21,22,23)/t5-,7-,8-,11?/m1/s1
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3.70E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibitory constant of compound with Rat adenylate kinase M isozyme


J Med Chem 25: 806-12 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(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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4.00E+6n/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 ATP non competitive inhibition


J Med Chem 25: 1179-84 (1983)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50027447
PNG
(CHEMBL167729 | Phosphoric acid mono-[5-(6-amino-pu...)
Show SMILES COC1C(O)C(COP(O)(O)=O)OC1n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H16N5O7P/c1-21-8-7(17)5(2-22-24(18,19)20)23-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H2,12,13,14)(H2,18,19,20)
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4.10E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibitory constant with Rat adenylate kinase M isozyme


J Med Chem 25: 806-12 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50367045
PNG
(CHEMBL605010)
Show SMILES CCC[C@@H](OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H20N5O7P/c1-2-3-6(25-26(21,22)23)10-8(19)9(20)13(24-10)18-5-17-7-11(14)15-4-16-12(7)18/h4-6,8-10,13,19-20H,2-3H2,1H3,(H2,14,15,16)(H2,21,22,23)/t6-,8+,9-,10-,13?/m1/s1
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4.50E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibitory constant of compound with Rat adenylate kinase M isozyme


J Med Chem 25: 806-12 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50367045
PNG
(CHEMBL605010)
Show SMILES CCC[C@@H](OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H20N5O7P/c1-2-3-6(25-26(21,22)23)10-8(19)9(20)13(24-10)18-5-17-7-11(14)15-4-16-12(7)18/h4-6,8-10,13,19-20H,2-3H2,1H3,(H2,14,15,16)(H2,21,22,23)/t6-,8+,9-,10-,13?/m1/s1
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4.50E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat Adenylate kinase M isoenzyme was determined in the presence of ATP, non competitive inhibition


J Med Chem 25: 1179-84 (1983)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50027446
PNG
(CHEMBL355659 | Phosphoric acid mono-[6-(6-amino-pu...)
Show SMILES CC1OC2C(COP(O)(O)=O)OC(C2O1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N5O7P/c1-5-22-8-6(2-21-25(18,19)20)24-12(9(8)23-5)17-4-16-7-10(13)14-3-15-11(7)17/h3-6,8-9,12H,2H2,1H3,(H2,13,14,15)(H2,18,19,20)
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4.50E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibitory constant with Rat adenylate kinase M isozyme


J Med Chem 25: 806-12 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50367046
PNG
(CHEMBL604395)
Show SMILES CCC[C@@H](OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1OC([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?/m1/s1
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4.50E+6n/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 ATPnon competitive inhibition


J Med Chem 25: 1179-84 (1983)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50367108
PNG
(CHEMBL607918)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O7S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H,18,19,20)/t4-,6-,7-,10?/m1/s1
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5.70E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibitory constant with Rat adenylate kinase M isozyme


J Med Chem 25: 806-12 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50367043
PNG
(CHEMBL604394)
Show SMILES CCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H20N5O13P3S/c1-2-34-12-16-6-9(13)14-4-15-10(6)17(12)11-8(19)7(18)5(28-11)3-27-32(23,24)30-33(25,26)29-31(20,21)22/h4-5,7-8,11,18-19H,2-3H2,1H3,(H,23,24)(H,25,26)(H2,13,14,15)(H2,20,21,22)/t5-,7-,8-,11?/m1/s1
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6.10E+6n/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 ATP


J Med Chem 25: 1179-84 (1983)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50027455
PNG
(CHEMBL353011 | Phosphoric acid mono-[6-(6-amino-pu...)
Show SMILES CCC1OC2C(COP(O)(O)=O)OC(C2O1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H18N5O7P/c1-2-7-24-9-6(3-22-26(19,20)21)23-13(10(9)25-7)18-5-17-8-11(14)15-4-16-12(8)18/h4-7,9-10,13H,2-3H2,1H3,(H2,14,15,16)(H2,19,20,21)
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6.50E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibitory constant with Rat adenylate kinase M isozyme


J Med Chem 25: 806-12 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50367100
PNG
(CHEMBL607942)
Show SMILES CC[C@@H](OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H18N5O7P/c1-2-5(24-25(20,21)22)9-7(18)8(19)12(23-9)17-4-16-6-10(13)14-3-15-11(6)17/h3-5,7-9,12,18-19H,2H2,1H3,(H2,13,14,15)(H2,20,21,22)/t5-,7+,8-,9-,12?/m1/s1
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1.10E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibitory constant of compound with Rat adenylate kinase M isozyme


J Med Chem 25: 806-12 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50367101
PNG
(CHEMBL1788158)
Show SMILES CCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H18N5O7PS/c1-2-26-12-16-6-9(13)14-4-15-10(6)17(12)11-8(19)7(18)5(24-11)3-23-25(20,21)22/h4-5,7-8,11,18-19H,2-3H2,1H3,(H2,13,14,15)(H2,20,21,22)/p-1/t5-,7-,8-,11?/m1/s1
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1.50E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibitory constant of compound with Rat adenylate kinase M isozyme


J Med Chem 25: 806-12 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50367047
PNG
(CHEMBL2368667)
Show SMILES [Na+].CCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H18N5O7PS.Na/c1-2-26-12-16-6-9(13)14-4-15-10(6)17(12)11-8(19)7(18)5(24-11)3-23-25(20,21)22;/h4-5,7-8,11,18-19H,2-3H2,1H3,(H2,13,14,15)(H2,20,21,22);/q;+1/p-1/t5-,7-,8-,11-;/m1./s1
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1.50E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat Adenylate kinase M isoenzyme was determined in the presence of ATP, non competitive inhibition


J Med Chem 25: 1179-84 (1983)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50367041
PNG
(CHEMBL603556)
Show SMILES C[C@@H](OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H16N5O7P/c1-4(23-24(19,20)21)8-6(17)7(18)11(22-8)16-3-15-5-9(12)13-2-14-10(5)16/h2-4,6-8,11,17-18H,1H3,(H2,12,13,14)(H2,19,20,21)/t4-,6+,7-,8-,11?/m1/s1
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1.60E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat Adenylate kinase M isoenzyme was determined in the presence of ATP, non competitive inhibition


J Med Chem 25: 1179-84 (1983)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50367041
PNG
(CHEMBL603556)
Show SMILES C[C@@H](OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H16N5O7P/c1-4(23-24(19,20)21)8-6(17)7(18)11(22-8)16-3-15-5-9(12)13-2-14-10(5)16/h2-4,6-8,11,17-18H,1H3,(H2,12,13,14)(H2,19,20,21)/t4-,6+,7-,8-,11?/m1/s1
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1.60E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibitory constant of compound with Rat adenylate kinase M isozyme


J Med Chem 25: 806-12 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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1.90E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat adenylate kinase II (AK-II) isoenzyme was determined in the presence of ATP, non competitive inhibition


J Med Chem 25: 1179-84 (1983)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50367001
PNG
(CHEMBL606220)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(Br)nc12
Show InChI InChI=1S/C10H13BrN5O7P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,13,14)(H2,19,20,21)/t3-,5-,6-,9?/m1/s1
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3.70E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibitory constant of compound with Rat adenylate kinase M isozyme


J Med Chem 25: 806-12 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50367105
PNG
(CHEMBL608209)
Show SMILES COP(O)(=O)C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H16N5O6P/c1-21-23(19,20)2-5-7(17)8(18)11(22-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H2,12,13,14)/t5-,7-,8-,11?/m1/s1
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5.20E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibitory constant of compound with Rat adenylate kinase M isozyme


J Med Chem 25: 806-12 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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8.20E+7n/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)

More data for this
Ligand-Target Pair