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PubMed code 6292418

Compile data set for download or QSAR
Found 35 hits of Enzyme Inhibition Constant Data   
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
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
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
Adenylate kinase 2, mitochondrial


(Rattus norvegicus)		BDBM50367040
PNG
(CHEMBL606017)
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)n2c(SCC)nc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C24H37N10O22P5S2/c1-3-62-23-31-11-17(25)27-7-29-19(11)33(23)21-15(37)13(35)9(51-21)5-49-57(39,40)53-59(43,44)55-61(47,48)56-60(45,46)54-58(41,42)50-6-10-14(36)16(38)22(52-10)34-20-12(18(26)28-8-30-20)32-24(34)63-4-2/h7-10,13-16,21-22,35-38H,3-6H2,1-2H3,(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H2,25,27,29)(H2,26,28,30)/t9-,10-,13-,14-,15-,16-,21?,22?/m1/s1
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 1.00E+4n/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)		BDBM50367040
PNG
(CHEMBL606017)
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)n2c(SCC)nc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C24H37N10O22P5S2/c1-3-62-23-31-11-17(25)27-7-29-19(11)33(23)21-15(37)13(35)9(51-21)5-49-57(39,40)53-59(43,44)55-61(47,48)56-60(45,46)54-58(41,42)50-6-10-14(36)16(38)22(52-10)34-20-12(18(26)28-8-30-20)32-24(34)63-4-2/h7-10,13-16,21-22,35-38H,3-6H2,1-2H3,(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H2,25,27,29)(H2,26,28,30)/t9-,10-,13-,14-,15-,16-,21?,22?/m1/s1
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 1.00E+4n/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)		BDBM50367048
PNG
(CHEMBL605430)
Show SMILES CCC[C@@H](OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(SCC)nc2c(N)ncnc12)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C25H39N10O22P5S/c1-3-5-10(18-15(37)17(39)23(52-18)34-9-32-12-19(26)28-7-30-21(12)34)53-59(42,43)55-61(46,47)57-62(48,49)56-60(44,45)54-58(40,41)50-6-11-14(36)16(38)24(51-11)35-22-13(20(27)29-8-31-22)33-25(35)63-4-2/h7-11,14-18,23-24,36-39H,3-6H2,1-2H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H2,26,28,30)(H2,27,29,31)/t10-,11-,14-,15+,16-,17-,18-,23?,24?/m1/s1
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 5.20E+4n/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)		BDBM50367048
PNG
(CHEMBL605430)
Show SMILES CCC[C@@H](OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(SCC)nc2c(N)ncnc12)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C25H39N10O22P5S/c1-3-5-10(18-15(37)17(39)23(52-18)34-9-32-12-19(26)28-7-30-21(12)34)53-59(42,43)55-61(46,47)57-62(48,49)56-60(44,45)54-58(40,41)50-6-11-14(36)16(38)24(51-11)35-22-13(20(27)29-8-31-22)33-25(35)63-4-2/h7-11,14-18,23-24,36-39H,3-6H2,1-2H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H2,26,28,30)(H2,27,29,31)/t10-,11-,14-,15+,16-,17-,18-,23?,24?/m1/s1
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 6.30E+4n/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 and non 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)		BDBM18137
PNG
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)
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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 8.00E+4n/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

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)		BDBM50010309
PNG
(CHEMBL3251358)
Show SMILES CCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
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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 8.00E+4n/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 ATP

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)		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 |r|
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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 9.00E+4n/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 ATP, non competitive inhibition

J Med Chem 25: 1179-84 (1983)


BindingDB Entry DOI: 10.7270/Q25D8SD7
More data for this
Ligand-Target Pair
Adenylate kinase isoenzyme 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 |r|
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)


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


(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 |r|
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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 4.50E+5n/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 ATP,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)		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 |r|
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+5n/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)		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 |r|
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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 5.40E+5n/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 isoenzyme 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 |r|
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)


BindingDB Entry DOI: 10.7270/Q25D8SD7
More data for this
Ligand-Target Pair
Adenylate kinase isoenzyme 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)


BindingDB Entry DOI: 10.7270/Q25D8SD7
More data for this
Ligand-Target Pair
Adenylate kinase isoenzyme 1


(Rattus norvegicus)		BDBM18137
PNG
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)
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)


BindingDB Entry DOI: 10.7270/Q25D8SD7
More data for this
Ligand-Target Pair
Adenylate kinase isoenzyme 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 |r|
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)


BindingDB Entry DOI: 10.7270/Q25D8SD7
More data for this
Ligand-Target Pair
Adenylate kinase isoenzyme 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 |r|
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)


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


(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 |r|
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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 2.00E+6n/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 ATP,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)		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 |r|
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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 2.20E+6n/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 ATP

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)		BDBM50367045
PNG
(CHEMBL605010)
Show SMILES CCC[C@@H](OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
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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 3.20E+6n/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
Adenylate kinase isoenzyme 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 |r|
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)


BindingDB Entry DOI: 10.7270/Q25D8SD7
More data for this
Ligand-Target Pair
Adenylate kinase isoenzyme 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 |r|
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)


BindingDB Entry DOI: 10.7270/Q25D8SD7
More data for this
Ligand-Target Pair
Adenylate kinase isoenzyme 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 |r|
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)


BindingDB Entry DOI: 10.7270/Q25D8SD7
More data for this
Ligand-Target Pair
Adenylate kinase isoenzyme 1


(Rattus norvegicus)		BDBM50010309
PNG
(CHEMBL3251358)
Show SMILES CCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
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)


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


(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 |r|
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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 9.80E+6n/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
Adenylate kinase isoenzyme 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 |r|
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)


BindingDB Entry DOI: 10.7270/Q25D8SD7
More data for this
Ligand-Target Pair
Adenylate kinase isoenzyme 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 |r|
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)


BindingDB Entry DOI: 10.7270/Q25D8SD7
More data for this
Ligand-Target Pair
Adenylate kinase isoenzyme 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)


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


(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 |r|
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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 2.10E+7n/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
Adenylate kinase isoenzyme 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 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)		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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 8.70E+7n/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 ATP, non 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)		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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 9.20E+7n/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
* indicates data uncertainty>20%