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48 similar compounds to monomer 50367000

Wt: 429.3
BDBM50367047
Wt: 470.8
BDBM81291
Purchase
Wt: 406.3
BDBM50367101
Wt: 640.3
BDBM50367306
Wt: 503.8
BDBM50366993
Wt: 504.8
BDBM50366994
Wt: 489.8
BDBM50366996
Wt: 500.4
BDBM50366998
Wt: 581.3
BDBM50367087
Wt: 615.3
BDBM50367090
Wt: 513.4
BDBM50367002
Wt: 494.4
BDBM50367003
Wt: 455.3
BDBM50367004
Wt: 497.4
BDBM50367005
Wt: 525.5
BDBM50367006
Displayed 1 to 15 (of 48 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50367047,81291,50367101,50367306,50366993,50366994,50366996,50366998,50367087,50367090,50367002,50367003,50367004,50367005,50367006   
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
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50366994
PNG
(CHEMBL603550)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@@H]1O)n1c(SCc2ccc(Cl)cc2)nc2c1nc[nH]c2=O
Show InChI InChI=1S/C17H18ClN4O8PS/c18-9-3-1-8(2-4-9)6-32-17-21-11-14(19-7-20-15(11)25)22(17)16-13(24)12(23)10(30-16)5-29-31(26,27)28/h1-4,7,10,12-13,16,23-24H,5-6H2,(H,19,20,25)(H2,26,27,28)/t10-,12-,13-,16?/m1/s1
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2.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


J Med Chem 24: 1155-61 (1982)

More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50366998
PNG
(CHEMBL603972)
Show SMILES COc1ccc(CSc2nc3c(nc[nH]c3=O)n2C2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C18H21N4O9PS/c1-29-10-4-2-9(3-5-10)7-33-18-21-12-15(19-8-20-16(12)25)22(18)17-14(24)13(23)11(31-17)6-30-32(26,27)28/h2-5,8,11,13-14,17,23-24H,6-7H2,1H3,(H,19,20,25)(H2,26,27,28)/t11-,13-,14-,17?/m1/s1
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4.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


J Med Chem 24: 1155-61 (1982)

More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50366993
PNG
(CHEMBL603334)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(SCc3ccc(Cl)cc3)nc12
Show InChI InChI=1S/C17H19ClN5O7PS/c18-9-3-1-8(2-4-9)6-32-17-22-11-14(19)20-7-21-15(11)23(17)16-13(25)12(24)10(30-16)5-29-31(26,27)28/h1-4,7,10,12-13,16,24-25H,5-6H2,(H2,19,20,21)(H2,26,27,28)/t10-,12-,13-,16?/m1/s1
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5.30E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


J Med Chem 24: 1155-61 (1982)

More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367003
PNG
(CHEMBL606484)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(SCc3ccc(cc3)C#N)nc12
Show InChI InChI=1S/C18H19N6O7PS/c19-5-9-1-3-10(4-2-9)7-33-18-23-12-15(20)21-8-22-16(12)24(18)17-14(26)13(25)11(31-17)6-30-32(27,28)29/h1-4,8,11,13-14,17,25-26H,6-7H2,(H2,20,21,22)(H2,27,28,29)/t11-,13-,14-,17?/m1/s1
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5.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


J Med Chem 24: 1155-61 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 2


(Rattus norvegicus)
BDBM50367087
PNG
(CHEMBL610146)
Show SMILES CCCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
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
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6.00E+4n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367005
PNG
(CHEMBL606014)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(SCCCc3ccccc3)nc12
Show InChI InChI=1S/C19H24N5O7PS/c20-16-13-17(22-10-21-16)24(18-15(26)14(25)12(31-18)9-30-32(27,28)29)19(23-13)33-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10,12,14-15,18,25-26H,4,7-9H2,(H2,20,21,22)(H2,27,28,29)/t12-,14-,15-,18?/m1/s1
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6.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


J Med Chem 24: 1155-61 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 3 alpha like 1


(Rattus norvegicus)
BDBM50367087
PNG
(CHEMBL610146)
Show SMILES CCCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
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
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7.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive binding inhibition constant of rat Adenylate kinase III was determined


J Med Chem 25: 638-44 (1982)

More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50366996
PNG
(CHEMBL603715)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(Sc3ccc(Cl)cc3)nc12
Show InChI InChI=1S/C16H17ClN5O7PS/c17-7-1-3-8(4-2-7)31-16-21-10-13(18)19-6-20-14(10)22(16)15-12(24)11(23)9(29-15)5-28-30(25,26)27/h1-4,6,9,11-12,15,23-24H,5H2,(H2,18,19,20)(H2,25,26,27)/t9-,11-,12-,15?/m1/s1
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7.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


J Med Chem 24: 1155-61 (1982)

More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367006
PNG
(CHEMBL606264)
Show SMILES CC(C)(C)c1ccc(CSc2nc3c(N)ncnc3n2C2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C21H28N5O7PS/c1-21(2,3)12-6-4-11(5-7-12)9-35-20-25-14-17(22)23-10-24-18(14)26(20)19-16(28)15(27)13(33-19)8-32-34(29,30)31/h4-7,10,13,15-16,19,27-28H,8-9H2,1-3H3,(H2,22,23,24)(H2,29,30,31)/t13-,15-,16-,19?/m1/s1
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1.30E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


J Med Chem 24: 1155-61 (1982)

More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367004
PNG
(CHEMBL603973)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(Sc3ccccc3)nc12
Show InChI InChI=1S/C16H18N5O7PS/c17-13-10-14(19-7-18-13)21(16(20-10)30-8-4-2-1-3-5-8)15-12(23)11(22)9(28-15)6-27-29(24,25)26/h1-5,7,9,11-12,15,22-23H,6H2,(H2,17,18,19)(H2,24,25,26)/t9-,11-,12-,15?/m1/s1
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1.37E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


J Med Chem 24: 1155-61 (1982)

More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367002
PNG
(CHEMBL1163091)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(SCc3ccc(cc3)C(O)=O)nc12
Show InChI InChI=1S/C18H20N5O9PS/c19-14-11-15(21-7-20-14)23(16-13(25)12(24)10(32-16)5-31-33(28,29)30)18(22-11)34-6-8-1-3-9(4-2-8)17(26)27/h1-4,7,10,12-13,16,24-25H,5-6H2,(H,26,27)(H2,19,20,21)(H2,28,29,30)/t10-,12-,13-,16?/m1/s1
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1.96E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


J Med Chem 24: 1155-61 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 2


(Rattus norvegicus)
BDBM50367090
PNG
(CHEMBL609545)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(Sc3ccccc3)nc12
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
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3.20E+5n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Adenylate kinase 3 alpha like 1


(Rattus norvegicus)
BDBM50367090
PNG
(CHEMBL609545)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(Sc3ccccc3)nc12
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
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3.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive binding inhibition constant of rat Adenylate kinase III was determined


J Med Chem 25: 638-44 (1982)

More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50367306
PNG
(CHEMBL608929)
Show SMILES NC(CCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C14H23N6O15P3S/c15-5(13(23)24)1-2-39-14-19-7-10(16)17-4-18-11(7)20(14)12-9(22)8(21)6(33-12)3-32-37(28,29)35-38(30,31)34-36(25,26)27/h4-6,8-9,12,21-22H,1-3,15H2,(H,23,24)(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5?,6-,8-,9-,12?/m1/s1
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5.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant against rat kidney Methionine adenosyltransferase II


J Med Chem 29: 318-22 (1986)

More data for this
Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2)


(Rattus norvegicus)
BDBM50367306
PNG
(CHEMBL608929)
Show SMILES NC(CCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C14H23N6O15P3S/c15-5(13(23)24)1-2-39-14-19-7-10(16)17-4-18-11(7)20(14)12-9(22)8(21)6(33-12)3-32-37(28,29)35-38(30,31)34-36(25,26)27/h4-6,8-9,12,21-22H,1-3,15H2,(H,23,24)(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5?,6-,8-,9-,12?/m1/s1
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3.30E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant against rat liver Methionine adenosyltransferase I


J Med Chem 29: 318-22 (1986)

More data for this
Ligand-Target Pair
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)
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 2


(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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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)

More data for this
Ligand-Target Pair
Adenylate kinase 2


(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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2.10E+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 II isozyme


J Med Chem 25: 806-12 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 2


(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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2.10E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non competitive binding inhibition constant(Ki) of rat adenylate kinase (AK III) isozymes was determined


J Med Chem 25: 638-44 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 3 alpha like 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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2.40E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non competitive binding inhibition of rat adenylate kinase IIl was determined


J Med Chem 25: 638-44 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 3 alpha like 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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2.40E+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 IIl


J Med Chem 25: 806-12 (1982)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase type I-alpha regulatory subunit


(Bos taurus)
BDBM81291
PNG
(8-(4-Chlorophenylthio)adenosine 3',5'-cycl...)
Show SMILES Nc1ncnc2n([C@@H]3O[C@@H]4COP([O-])(=O)O[C@H]4[C@H]3O)c(Sc3ccc(Cl)cc3)nc12
Show InChI InChI=1S/C16H15ClN5O6PS/c17-7-1-3-8(4-2-7)30-16-21-10-13(18)19-6-20-14(10)22(16)15-11(23)12-9(27-15)5-26-29(24,25)28-12/h1-4,6,9,11-12,15,23H,5H2,(H,24,25)(H2,18,19,20)/p-1/t9-,11-,12-,15-/m1/s1
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n/an/an/an/a 32.7n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase type II-beta regulatory subunit


(Homo sapiens)
BDBM81291
PNG
(8-(4-Chlorophenylthio)adenosine 3',5'-cycl...)
Show SMILES Nc1ncnc2n([C@@H]3O[C@@H]4COP([O-])(=O)O[C@H]4[C@H]3O)c(Sc3ccc(Cl)cc3)nc12
Show InChI InChI=1S/C16H15ClN5O6PS/c17-7-1-3-8(4-2-7)30-16-21-10-13(18)19-6-20-14(10)22(16)15-11(23)12-9(27-15)5-26-29(24,25)28-12/h1-4,6,9,11-12,15,23H,5H2,(H,24,25)(H2,18,19,20)/p-1/t9-,11-,12-,15-/m1/s1
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n/an/an/an/a 50.5n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase type II-beta regulatory subunit


(Homo sapiens)
BDBM81291
PNG
(8-(4-Chlorophenylthio)adenosine 3',5'-cycl...)
Show SMILES Nc1ncnc2n([C@@H]3O[C@@H]4COP([O-])(=O)O[C@H]4[C@H]3O)c(Sc3ccc(Cl)cc3)nc12
Show InChI InChI=1S/C16H15ClN5O6PS/c17-7-1-3-8(4-2-7)30-16-21-10-13(18)19-6-20-14(10)22(16)15-11(23)12-9(27-15)5-26-29(24,25)28-12/h1-4,6,9,11-12,15,23H,5H2,(H,24,25)(H2,18,19,20)/p-1/t9-,11-,12-,15-/m1/s1
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n/an/an/an/a 50.5n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase type I-alpha regulatory subunit


(Bos taurus)
BDBM81291
PNG
(8-(4-Chlorophenylthio)adenosine 3',5'-cycl...)
Show SMILES Nc1ncnc2n([C@@H]3O[C@@H]4COP([O-])(=O)O[C@H]4[C@H]3O)c(Sc3ccc(Cl)cc3)nc12
Show InChI InChI=1S/C16H15ClN5O6PS/c17-7-1-3-8(4-2-7)30-16-21-10-13(18)19-6-20-14(10)22(16)15-11(23)12-9(27-15)5-26-29(24,25)28-12/h1-4,6,9,11-12,15,23H,5H2,(H,24,25)(H2,18,19,20)/p-1/t9-,11-,12-,15-/m1/s1
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n/an/an/an/a 32.7n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair