Found 56 hits Enz. Inhib. hit(s) with Target = 'Adenylate kinase 2, mitochondrial' AND taxid = 10116 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50367049
(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 | PDB
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| CHEMBL
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PC sid
UniChem
Similars
| PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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UniChem
Similars
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| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| 5.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50010310
(CHEMBL3251359)Show SMILES CCCSc1nc2c(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/C13H22N5O13P3S/c1-2-3-35-13-17-7-10(14)15-5-16-11(7)18(13)12-9(20)8(19)6(29-12)4-28-33(24,25)31-34(26,27)30-32(21,22)23/h5-6,8-9,12,19-20H,2-4H2,1H3,(H,24,25)(H,26,27)(H2,14,15,16)(H2,21,22,23)/t6-,8-,9-,12-/m1/s1 | PDB
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| 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibition of Sprague-Dawley rat liver adenylate kinase 2 by Lineweaver-Burk plot analysis |
J Med Chem 22: 1529-32 (1980)
BindingDB Entry DOI: 10.7270/Q2JD4Z9V |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50010310
(CHEMBL3251359)Show SMILES CCCSc1nc2c(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/C13H22N5O13P3S/c1-2-3-35-13-17-7-10(14)15-5-16-11(7)18(13)12-9(20)8(19)6(29-12)4-28-33(24,25)31-34(26,27)30-32(21,22)23/h5-6,8-9,12,19-20H,2-4H2,1H3,(H,24,25)(H,26,27)(H2,14,15,16)(H2,21,22,23)/t6-,8-,9-,12-/m1/s1 | PDB
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| 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive binding inhibition constant(Ki) of rat adenylate kinase (AK II) isozymes was determined |
J Med Chem 25: 638-44 (1982)
BindingDB Entry DOI: 10.7270/Q2MG7Q28 |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50367048
(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 | PDB
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| 6.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50010311
(CHEMBL2364580)Show SMILES CCCCSc1nc2c(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/C14H24N5O13P3S/c1-2-3-4-36-14-18-8-11(15)16-6-17-12(8)19(14)13-10(21)9(20)7(30-13)5-29-34(25,26)32-35(27,28)31-33(22,23)24/h6-7,9-10,13,20-21H,2-5H2,1H3,(H,25,26)(H,27,28)(H2,15,16,17)(H2,22,23,24)/t7-,9-,10-,13-/m1/s1 | PDB
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| 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibition of Sprague-Dawley rat liver adenylate kinase 2 by Lineweaver-Burk plot analysis |
J Med Chem 22: 1529-32 (1980)
BindingDB Entry DOI: 10.7270/Q2JD4Z9V |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50010312
(CHEMBL3251360)Show SMILES CCCCCSc1nc2c(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/C15H26N5O13P3S/c1-2-3-4-5-37-15-19-9-12(16)17-7-18-13(9)20(15)14-11(22)10(21)8(31-14)6-30-35(26,27)33-36(28,29)32-34(23,24)25/h7-8,10-11,14,21-22H,2-6H2,1H3,(H,26,27)(H,28,29)(H2,16,17,18)(H2,23,24,25)/t8-,10-,11-,14-/m1/s1 | PDB
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| 8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibition of Sprague-Dawley rat liver adenylate kinase 2 by Lineweaver-Burk plot analysis |
J Med Chem 22: 1529-32 (1980)
BindingDB Entry DOI: 10.7270/Q2JD4Z9V |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50010309
(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 | PDB
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| 8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50010309
(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 | PDB
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| 8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibition of Sprague-Dawley rat liver adenylate kinase 2 by Lineweaver-Burk plot analysis |
J Med Chem 22: 1529-32 (1980)
BindingDB Entry DOI: 10.7270/Q2JD4Z9V |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM18137
(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 | PDB
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| 8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50366480
(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 | PDB
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| 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50010314
(CHEMBL3251362)Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(SCCCCO)nc12 |r| Show InChI InChI=1S/C14H24N5O14P3S/c15-11-8-12(17-6-16-11)19(14(18-8)37-4-2-1-3-20)13-10(22)9(21)7(31-13)5-30-35(26,27)33-36(28,29)32-34(23,24)25/h6-7,9-10,13,20-22H,1-5H2,(H,26,27)(H,28,29)(H2,15,16,17)(H2,23,24,25)/t7-,9-,10-,13-/m1/s1 | PDB
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| 1.45E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibition of Sprague-Dawley rat liver adenylate kinase 2 by Lineweaver-Burk plot analysis |
J Med Chem 22: 1529-32 (1980)
BindingDB Entry DOI: 10.7270/Q2JD4Z9V |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50010313
(CHEMBL3251361)Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(SCCO)nc12 |r| Show InChI InChI=1S/C12H20N5O14P3S/c13-9-6-10(15-4-14-9)17(12(16-6)35-2-1-18)11-8(20)7(19)5(29-11)3-28-33(24,25)31-34(26,27)30-32(21,22)23/h4-5,7-8,11,18-20H,1-3H2,(H,24,25)(H,26,27)(H2,13,14,15)(H2,21,22,23)/t5-,7-,8-,11-/m1/s1 | PDB
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| 2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibition of Sprague-Dawley rat liver adenylate kinase 2 by Lineweaver-Burk plot analysis |
J Med Chem 22: 1529-32 (1980)
BindingDB Entry DOI: 10.7270/Q2JD4Z9V |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50367068
(CHEMBL3350524 | CHEMBL609795)Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(NCCCCCCNC(=O)CI)nc12 |r| Show InChI InChI=1S/C18H31IN7O14P3/c19-7-11(27)21-5-3-1-2-4-6-22-18-25-12-15(20)23-9-24-16(12)26(18)17-14(29)13(28)10(38-17)8-37-42(33,34)40-43(35,36)39-41(30,31)32/h9-10,13-14,17,28-29H,1-8H2,(H,21,27)(H,22,25)(H,33,34)(H,35,36)(H2,20,23,24)(H2,30,31,32)/t10-,13-,14-,17?/m1/s1 | PDB
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| 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit rat adenylate kinase II, activity expressed as Inhibition constant |
J Med Chem 25: 382-6 (1982)
BindingDB Entry DOI: 10.7270/Q24F1R9V |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50010308
(CHEMBL3251357)Show SMILES CSc1nc2c(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/C11H18N5O13P3S/c1-33-11-15-5-8(12)13-3-14-9(5)16(11)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1 | PDB
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| 3.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibition of Sprague-Dawley rat liver adenylate kinase 2 by Lineweaver-Burk plot analysis |
J Med Chem 22: 1529-32 (1980)
BindingDB Entry DOI: 10.7270/Q2JD4Z9V |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50010315
(CHEMBL3251363)Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(Sc3ccccc3)nc12 |r| Show InChI InChI=1S/C16H20N5O13P3S/c17-13-10-14(19-7-18-13)21(16(20-10)38-8-4-2-1-3-5-8)15-12(23)11(22)9(32-15)6-31-36(27,28)34-37(29,30)33-35(24,25)26/h1-5,7,9,11-12,15,22-23H,6H2,(H,27,28)(H,29,30)(H2,17,18,19)(H2,24,25,26)/t9-,11-,12-,15-/m1/s1 | PDB
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| 3.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibition of Sprague-Dawley rat liver adenylate kinase 2 by Lineweaver-Burk plot analysis |
J Med Chem 22: 1529-32 (1980)
BindingDB Entry DOI: 10.7270/Q2JD4Z9V |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50010315
(CHEMBL3251363)Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(Sc3ccccc3)nc12 |r| Show InChI InChI=1S/C16H20N5O13P3S/c17-13-10-14(19-7-18-13)21(16(20-10)38-8-4-2-1-3-5-8)15-12(23)11(22)9(32-15)6-31-36(27,28)34-37(29,30)33-35(24,25)26/h1-5,7,9,11-12,15,22-23H,6H2,(H,27,28)(H,29,30)(H2,17,18,19)(H2,24,25,26)/t9-,11-,12-,15-/m1/s1 | PDB
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| 3.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive binding inhibition constant (Ki) of rat adenylate kinase (AK II) isozymes was determined |
J Med Chem 25: 638-44 (1982)
BindingDB Entry DOI: 10.7270/Q2MG7Q28 |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50367104
(CHEMBL607646)Show SMILES Nc1ncnc2n(cnc12)C1O[C@@](COP(O)(O)=O)(CC=C)[C@@H](O)[C@H]1O |r| 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 | PDB
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| 3.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibitory constant with Rat adenylate kinase II isozyme |
J Med Chem 25: 806-12 (1982)
BindingDB Entry DOI: 10.7270/Q2765FWS |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50367046
(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 | PDB
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| 4.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50367038
(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 | PDB
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| 4.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50367042
(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 | PDB
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| 5.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50027451
(CHEMBL3143591 | Phosphoric acid mono-[5-(6-amino-p...)Show SMILES CO[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12 |r| 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) | PDB
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| 9.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibitory constant with Rat adenylate kinase II isozyme |
J Med Chem 25: 806-12 (1982)
BindingDB Entry DOI: 10.7270/Q2765FWS |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50027422
(1N-{4-[9-(3,4-dihydroxy-5-hydroxymethyltetrahydro-...)Show SMILES CN(CCCCN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(C)=O Show InChI InChI=1S/C18H31N6O14P3/c1-11(25)22(2)6-4-5-7-23(3)16-13-17(20-9-19-16)24(10-21-13)18-15(27)14(26)12(36-18)8-35-40(31,32)38-41(33,34)37-39(28,29)30/h9-10,12,14-15,18,26-27H,4-8H2,1-3H3,(H,31,32)(H,33,34)(H2,28,29,30)/t12-,14-,15-,18-/m1/s1 | PDB
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| 1.10E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibition of adenylate kinase III in rat liver with respect to ATP |
J Med Chem 25: 373-81 (1982)
BindingDB Entry DOI: 10.7270/Q28P5ZH6 |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50367067
(CHEMBL3350514 | CHEMBL612174)Show SMILES CN(CCCCN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)CCCCCCNC(=O)CI |r| Show InChI InChI=1S/C25H43IN7O15P3/c1-31(19(35)9-5-3-4-6-10-27-18(34)13-26)11-7-8-12-32(2)23-20-24(29-15-28-23)33(16-30-20)25-22(37)21(36)17(46-25)14-45-50(41,42)48-51(43,44)47-49(38,39)40/h15-17,21-22,25,36-37H,3-14H2,1-2H3,(H,27,34)(H,41,42)(H,43,44)(H2,38,39,40)/t17-,21-,22-,25?/m1/s1 | PDB
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| 1.60E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit rat adenylate kinase II, activity expressed as Inhibition constant |
J Med Chem 25: 382-6 (1982)
BindingDB Entry DOI: 10.7270/Q24F1R9V |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50367066
(CHEMBL3350509 | CHEMBL610373)Show SMILES CN(CCCCCCN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)CCCCCCNC(=O)CI |r| Show InChI InChI=1S/C27H47IN7O15P3/c1-33(21(37)11-7-3-4-8-12-29-20(36)15-28)13-9-5-6-10-14-34(2)25-22-26(31-17-30-25)35(18-32-22)27-24(39)23(38)19(48-27)16-47-52(43,44)50-53(45,46)49-51(40,41)42/h17-19,23-24,27,38-39H,3-16H2,1-2H3,(H,29,36)(H,43,44)(H,45,46)(H2,40,41,42)/t19-,23-,24-,27?/m1/s1 | PDB
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| 1.80E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit rat adenylate kinase II, activity expressed as Inhibition constant |
J Med Chem 25: 382-6 (1982)
BindingDB Entry DOI: 10.7270/Q24F1R9V |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50367073
(CHEMBL3350528 | CHEMBL609819)Show SMILES CN(CCCCCCN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)CCCCCNC(=O)CI |r| Show InChI InChI=1S/C26H45IN7O15P3/c1-32(20(36)10-6-5-7-11-28-19(35)14-27)12-8-3-4-9-13-33(2)24-21-25(30-16-29-24)34(17-31-21)26-23(38)22(37)18(47-26)15-46-51(42,43)49-52(44,45)48-50(39,40)41/h16-18,22-23,26,37-38H,3-15H2,1-2H3,(H,28,35)(H,42,43)(H,44,45)(H2,39,40,41)/t18-,22-,23-,26?/m1/s1 | PDB
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| 1.90E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit rat adenylate kinase II, activity expressed as Inhibition constant |
J Med Chem 25: 382-6 (1982)
BindingDB Entry DOI: 10.7270/Q24F1R9V |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50367037
(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 | PDB
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| 2.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50027448
(CHEMBL3143581 | Phosphoric acid mono-[6-(6-amino-p...)Show SMILES CC1(C)O[C@@H]2[C@@H](COP(O)(O)=O)O[C@H]([C@@H]2O1)n1cnc2c(N)ncnc12 |r| 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) | PDB
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| 2.10E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibitory constant with Rat adenylate kinase II isozyme |
J Med Chem 25: 806-12 (1982)
BindingDB Entry DOI: 10.7270/Q2765FWS |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50367098
(CHEMBL607630)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?/m0/s1 | PDB
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| 2.10E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Non-competitive inhibitory constant of compound with Rat adenylate kinase II isozyme |
J Med Chem 25: 806-12 (1982)
BindingDB Entry DOI: 10.7270/Q2765FWS |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50367039
(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 | PDB
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| 2.20E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50367103
(CHEMBL608483)Show SMILES CC[C@H](OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| 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 | PDB
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| 2.40E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Non-competitive/Competitive inhibitory constant of compound with Rat adenylate kinase II isozyme |
J Med Chem 25: 806-12 (1982)
BindingDB Entry DOI: 10.7270/Q2765FWS |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50027446
(CHEMBL3143582 | Phosphoric acid mono-[6-(6-amino-p...)Show SMILES CC1O[C@@H]2[C@@H](COP(O)(O)=O)O[C@H]([C@@H]2O1)n1cnc2c(N)ncnc12 |r| 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) | PDB
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| 2.70E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibitory constant with Rat adenylate kinase II isozyme |
J Med Chem 25: 806-12 (1982)
BindingDB Entry DOI: 10.7270/Q2765FWS |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50027455
(CHEMBL3143592 | Phosphoric acid mono-[6-(6-amino-p...)Show SMILES CCC1O[C@@H]2[C@@H](COP(O)(O)=O)O[C@H]([C@@H]2O1)n1cnc2c(N)ncnc12 |r| 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) | PDB
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| 2.70E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibitory constant with Rat adenylate kinase II isozyme |
J Med Chem 25: 806-12 (1982)
BindingDB Entry DOI: 10.7270/Q2765FWS |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50367045
(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 | PDB
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| 3.20E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50367045
(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 | PDB
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| 3.20E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibitory constant with Rat adenylate kinase II isozyme |
J Med Chem 25: 806-12 (1982)
BindingDB Entry DOI: 10.7270/Q2765FWS |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50027447
(CHEMBL1229561 | Phosphoric acid mono-[5-(6-amino-p...)Show SMILES CO[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(N)ncnc12 |r| 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) | PDB
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| 3.60E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibitory constant with Rat adenylate kinase II isozyme |
J Med Chem 25: 806-12 (1982)
BindingDB Entry DOI: 10.7270/Q2765FWS |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50367106
(CHEMBL1230507 | CHEMBL609083)Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H16N5O7P/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11,17-18H,2H2,1H3,(H,12,13,14)(H2,19,20,21)/t5-,7-,8-,11?/m1/s1 | PDB
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| 4.20E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Non-competitive inhibitory constant of compound with Rat adenylate kinase II isozyme |
J Med Chem 25: 806-12 (1982)
BindingDB Entry DOI: 10.7270/Q2765FWS |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50367100
(CHEMBL607942)Show SMILES CC[C@@H](OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| 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 | PDB
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| 5.40E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibitory constant with Rat adenylate kinase II isozyme |
J Med Chem 25: 806-12 (1982)
BindingDB Entry DOI: 10.7270/Q2765FWS |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50367110
(CHEMBL609073)Show SMILES CN(C)c1nc(N)c2ncn(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r| 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 | PDB
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| 5.80E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibitory constant with Rat adenylate kinase II isozyme |
J Med Chem 25: 806-12 (1982)
BindingDB Entry DOI: 10.7270/Q2765FWS |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50367069
(CHEMBL3350522 | CHEMBL609792)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCCCCCCNC(=O)CI)ncnc12 |r| Show InChI InChI=1S/C18H30IN6O14P3/c19-7-12(26)20-5-3-1-2-4-6-21-16-13-17(23-9-22-16)25(10-24-13)18-15(28)14(27)11(37-18)8-36-41(32,33)39-42(34,35)38-40(29,30)31/h9-11,14-15,18,27-28H,1-8H2,(H,20,26)(H,32,33)(H,34,35)(H,21,22,23)(H2,29,30,31)/t11-,14-,15-,18?/m1/s1 | PDB
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| 7.30E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit rat adenylate kinase II, activity expressed as Inhibition constant |
J Med Chem 25: 382-6 (1982)
BindingDB Entry DOI: 10.7270/Q24F1R9V |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50367041
(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 | PDB
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| 9.80E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibitory constant with Rat adenylate kinase II isozyme |
J Med Chem 25: 806-12 (1982)
BindingDB Entry DOI: 10.7270/Q2765FWS |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50367041
(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 | PDB
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| 9.80E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50367102
(CHEMBL608353)Show SMILES CC(=O)NCCNc1ncnc2n(cnc12)C1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r| 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 | PDB
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| 1.14E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Non-competitive inhibitory constant of compound with Rat adenylate kinase II isozyme |
J Med Chem 25: 806-12 (1982)
BindingDB Entry DOI: 10.7270/Q2765FWS |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50367089
(CHEMBL1788163)Show SMILES CC(=O)NCCNc1ncnc2n(cnc12)C1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r| 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)/p-1/t8-,10-,11-,14?/m1/s1 | PDB
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| 1.14E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Non competitive binding inhibition constant (Ki) of rat adenylate kinase (AK II) isozymes was determined |
J Med Chem 25: 638-44 (1982)
BindingDB Entry DOI: 10.7270/Q2MG7Q28 |
More data for this
Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50367088
(CHEMBL1788161)Show SMILES CC(=O)NCCCCCCCCNc1ncnc2n(cnc12)C1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H33N6O8P/c1-13(27)21-8-6-4-2-3-5-7-9-22-18-15-19(24-11-23-18)26(12-25-15)20-17(29)16(28)14(34-20)10-33-35(30,31)32/h11-12,14,16-17,20,28-29H,2-10H2,1H3,(H,21,27)(H,22,23,24)(H2,30,31,32)/p-1/t14-,16-,17-,20?/m1/s1 | PDB
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| 1.26E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Non competitive binding inhibition constant (Ki) of rat adenylate kinase (AK II) isozymes was determined |
J Med Chem 25: 638-44 (1982)
BindingDB Entry DOI: 10.7270/Q2MG7Q28 |
More data for this
Ligand-Target Pair | |
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