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86 similar compounds to monomer 50367001

Wt: 507.1
BDBM2
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Wt: 329.2
BDBM10851
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Wt: 347.2
BDBM11940
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Wt: 427.2
BDBM11941
Wt: 347.2
BDBM18137
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Wt: 427.2
BDBM25461
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Wt: 427.2
BDBM31995
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Wt: 346.2
BDBM61258
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Wt: 357.2
BDBM81287
Wt: 328.1
BDBM81289
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Wt: 407.0
BDBM81292
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Wt: 426.1
BDBM82124
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Wt: 832.3
BDBM81570
Wt: 1199.7
BDBM81583
Wt: 1448.9
BDBM81585
Displayed 1 to 15 (of 86 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 87 hits for monomerid = 2,10851,11940,11941,18137,25461,31995,61258,81287,81289,81292,82124,81570,81583,81585   
Target/Host
(Institution)
LigandTarget/Host
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
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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0.230n/an/a 1.13n/an/a 4.43E+6n/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Association rate constant for the interaction between inhibitor and HIV-1 protease


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM2
PNG
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(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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3.10n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM2
PNG
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(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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14.6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 407-16 (2004)

More data for this
Ligand-Target Pair
PurinergicP2X2/3


(HUMAN)
BDBM2
PNG
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(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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14.7n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 407-16 (2004)

More data for this
Ligand-Target Pair
ADORA3


(RAT)
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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17.2n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
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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57.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
PurinergicP2X2/3


(HUMAN)
BDBM31995
PNG
(ADP | Adenosine Diphosphate (ADP) | CHEMBL14830)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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67.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 407-16 (2004)

More data for this
Ligand-Target Pair
Heat Shock 70kDa Protein 1


(Homo sapiens (Human))
BDBM82124
PNG
(adenosine-derived inhibitor (Grp78), 1)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-1/t4-,6-,7-,10-/m1/s1
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110 -9.49n/an/an/an/an/a7.425



Vernalis (R&D) Ltd.



Assay Description
The assay was based on the fluorescence polarization of the unbound small binding partner will be low, and its binding to a larger binding partner wi...


J Med Chem 54: 4034-41 (2011)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM31995
PNG
(ADP | Adenosine Diphosphate (ADP) | CHEMBL14830)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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452n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 407-16 (2004)

More data for this
Ligand-Target Pair
Cholecystokinin


(RAT)
BDBM2
PNG
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(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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1.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche & Co., Ltd.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin


(RAT)
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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1.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche & Co., Ltd.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin


(RAT)
BDBM31995
PNG
(ADP | Adenosine Diphosphate (ADP) | CHEMBL14830)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche & Co., Ltd.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin


(RAT)
BDBM2
PNG
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(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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1.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche & Co., Ltd.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Bis(5'adenosyl)-triphosphatase


(Homo sapiens (Human))
BDBM81583
PNG
(AppppA analog, 12 (X=O))
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP([O-])(=O)OCC(COP(O)([O-])=O)(COP([O-])(=O)OCC2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)COP([O-])(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C35H49N15O25P4/c36-26-17-29(42-8-39-26)48(11-45-17)32-23(54)20(51)14(73-32)1-66-77(60,61)70-5-35(4-69-76(57,58)59,6-71-78(62,63)67-2-15-21(52)24(55)33(74-15)49-12-46-18-27(37)40-9-43-30(18)49)7-72-79(64,65)68-3-16-22(53)25(56)34(75-16)50-13-47-19-28(38)41-10-44-31(19)50/h8-16,20-25,32-34,51-56H,1-7H2,(H,60,61)(H,62,63)(H,64,65)(H2,36,39,42)(H2,37,40,43)(H2,38,41,44)(H2,57,58,59)/p-4/t14-,15?,16?,20-,21-,22+,23-,24-,25+,32?,33-,34?,35?/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Kimmel Cancer Center



Assay Description
Inhibition assay using Fhit with ApppBODIPY.


Citation and Details
More data for this
Ligand-Target Pair
Bis(5'adenosyl)-triphosphatase


(Homo sapiens (Human))
BDBM81570
PNG
(AppppA analog, 1 (X=O))
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OCC2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/p-4/t7-,8?,11-,12-,13-,14-,19?,20-/m1/s1
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2.60E+3n/an/an/an/an/an/an/an/a



Kimmel Cancer Center



Assay Description
Inhibition assay using Fhit with ApppBODIPY.


Citation and Details
More data for this
Ligand-Target Pair
Bis(5'adenosyl)-triphosphatase


(Homo sapiens (Human))
BDBM81585
PNG
(AppppA analog, 13 (X=O))
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP([O-])(=O)OCC(COP([O-])(=O)OCC2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)(COP([O-])(=O)OCC2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)COP([O-])(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C45H60N20O28P4/c46-33-21-37(54-9-50-33)62(13-58-21)41-29(70)25(66)17(90-41)1-82-94(74,75)86-5-45(6-87-95(76,77)83-2-18-26(67)30(71)42(91-18)63-14-59-22-34(47)51-10-55-38(22)63,7-88-96(78,79)84-3-19-27(68)31(72)43(92-19)64-15-60-23-35(48)52-11-56-39(23)64)8-89-97(80,81)85-4-20-28(69)32(73)44(93-20)65-16-61-24-36(49)53-12-57-40(24)65/h9-20,25-32,41-44,66-73H,1-8H2,(H,74,75)(H,76,77)(H,78,79)(H,80,81)(H2,46,50,54)(H2,47,51,55)(H2,48,52,56)(H2,49,53,57)/p-4/t17-,18?,19?,20?,25-,26-,27-,28+,29-,30-,31-,32+,41?,42-,43-,44?,45?/m1/s1
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3.20E+3n/an/an/an/an/an/an/an/a



Kimmel Cancer Center



Assay Description
Inhibition assay using Fhit with ApppBODIPY.


Citation and Details
More data for this
Ligand-Target Pair
tRNA synthetase (GlyRS)


(Bombyx mori)
BDBM2
PNG
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(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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1.30E+4 -6.66 1.00E+5n/an/an/an/a7.525



Medical College of Ohio



Assay Description
Aminoacyl-tRNA synthetase assays were measuring the incorporation of [14C] amino acid into tRNA.


Biochemistry 42: 5333-40 (2003)

More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens)
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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PubMed
1.92E+4n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)

More data for this
Ligand-Target Pair
Deoxyribonucleoside 5'-monophosphate N-glycosidase (Rcl)


(Rattus norvegicus (Rat))
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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4.00E+4n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)

More data for this
Ligand-Target Pair
tRNA synthetase (GlyRS)


(Bombyx mori)
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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8.00E+4 -5.59 8.00E+5n/an/an/an/a7.525



Medical College of Ohio



Assay Description
Aminoacyl-tRNA synthetase assays were measuring the incorporation of [14C] amino acid into tRNA.


Biochemistry 42: 5333-40 (2003)

More data for this
Ligand-Target Pair
Adenylate kinase 2


(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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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


Citation and Details
More data for this
Ligand-Target Pair
Ketopantoate reductase


(Escherichia coli (strain K12))
BDBM11941
PNG
(2,5-ADP | ADENOSINE-2 -5 -DIPHOSPHATE | {[(2R,3R,4...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1OP(O)(O)=O
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(25-27(20,21)22)6(16)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
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2.40E+5n/an/an/an/an/an/an/an/a



University Chemical Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli KPR


J Med Chem 49: 4992-5000 (2006)

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


(Escherichia coli (strain K12))
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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4.50E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Ketopantoate reductase


(Escherichia coli (strain K12))
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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6.30E+6n/an/an/an/an/an/an/an/a



University Chemical Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli KPR


J Med Chem 49: 4992-5000 (2006)

More data for this
Ligand-Target Pair
Heat Shock 70kDa Protein 1


(Homo sapiens (Human))
BDBM2
PNG
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(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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PubMed
n/an/a 500n/an/an/an/a7.423



Vernalis (R&D) Ltd.



Assay Description
A fluorescein-labeled ATP-based probe was utilized, which binds to the GST fused ATPase domain (amino acids 3-383) of HSP70, producing an increase in...


J Med Chem 52: 1510-3 (2009)

More data for this
Ligand-Target Pair
Heat Shock 70kDa Protein 1


(Homo sapiens (Human))
BDBM31995
PNG
(ADP | Adenosine Diphosphate (ADP) | CHEMBL14830)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/a 500n/an/an/an/a7.423



Vernalis (R&D) Ltd.



Assay Description
A fluorescein-labeled ATP-based probe was utilized, which binds to the GST fused ATPase domain (amino acids 3-383) of HSP70, producing an increase in...


J Med Chem 52: 1510-3 (2009)

More data for this
Ligand-Target Pair
Heat Shock 70kDa Protein 1


(Homo sapiens (Human))
BDBM31995
PNG
(ADP | Adenosine Diphosphate (ADP) | CHEMBL14830)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/an/a 500n/an/an/a7.425



Vernalis (R&D) Ltd.



Assay Description
All experiments were performed on a Biacore T100 at 25 deg C with a flow rate of 30 uL per minute. Double His-tagged HSP70 was immobilised on the sur...


J Med Chem 52: 1510-3 (2009)

More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM61258
PNG
((5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)([O-])=O)C(O)C1O
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)/p-1
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n/an/a 7.95E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM61258
PNG
((5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)([O-])=O)C(O)C1O
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)/p-1
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n/an/a 1.66E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM61258
PNG
((5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)([O-])=O)C(O)C1O
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)/p-1
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
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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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


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


(Bos taurus)
BDBM81287
PNG
(6-(6-aminopurin-9-yl)-2-ethoxy-2-oxidanylidene-4a,...)
Show SMILES CCOP1(=O)OCC2OC(C(O)C2O1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N5O6P/c1-2-20-24(19)21-3-6-9(23-24)8(18)12(22-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18H,2-3H2,1H3,(H2,13,14,15)
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n/an/an/an/a 2.68E+3n/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...


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


(Bos taurus)
BDBM81289
PNG
(Adenosine 3',5'-cyclic monophosphate sodiu...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1O
Show InChI InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/p-1/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 68.0n/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...


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


(Bos taurus)
BDBM81292
PNG
(8-Bromoadenosine 3',5'-cyclic monophosphat...)
Show SMILES Nc1ncnc2n([C@@H]3O[C@@H]4COP([O-])(=O)O[C@H]4[C@H]3O)c(Br)nc12
Show InChI InChI=1S/C10H11BrN5O6P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14)/p-1/t3-,5-,6-,9-/m1/s1
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n/an/an/an/a 34.4n/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...


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


(Homo sapiens)
BDBM81287
PNG
(6-(6-aminopurin-9-yl)-2-ethoxy-2-oxidanylidene-4a,...)
Show SMILES CCOP1(=O)OCC2OC(C(O)C2O1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N5O6P/c1-2-20-24(19)21-3-6-9(23-24)8(18)12(22-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18H,2-3H2,1H3,(H2,13,14,15)
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n/an/an/an/a 3.75E+3n/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...


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


(Homo sapiens)
BDBM81289
PNG
(Adenosine 3',5'-cyclic monophosphate sodiu...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1O
Show InChI InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/p-1/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 88.5n/an/an/an/a



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


(Homo sapiens)
BDBM81292
PNG
(8-Bromoadenosine 3',5'-cyclic monophosphat...)
Show SMILES Nc1ncnc2n([C@@H]3O[C@@H]4COP([O-])(=O)O[C@H]4[C@H]3O)c(Br)nc12
Show InChI InChI=1S/C10H11BrN5O6P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14)/p-1/t3-,5-,6-,9-/m1/s1
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The Scripps Research Institute Molecular Screening Center

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


(Homo sapiens)
BDBM81287
PNG
(6-(6-aminopurin-9-yl)-2-ethoxy-2-oxidanylidene-4a,...)
Show SMILES CCOP1(=O)OCC2OC(C(O)C2O1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N5O6P/c1-2-20-24(19)21-3-6-9(23-24)8(18)12(22-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18H,2-3H2,1H3,(H2,13,14,15)
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The Scripps Research Institute Molecular Screening Center

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


(Homo sapiens)
BDBM81289
PNG
(Adenosine 3',5'-cyclic monophosphate sodiu...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1O
Show InChI InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/p-1/t4-,6-,7-,10-/m1/s1
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The Scripps Research Institute Molecular Screening Center

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


(Homo sapiens)
BDBM81292
PNG
(8-Bromoadenosine 3',5'-cyclic monophosphat...)
Show SMILES Nc1ncnc2n([C@@H]3O[C@@H]4COP([O-])(=O)O[C@H]4[C@H]3O)c(Br)nc12
Show InChI InChI=1S/C10H11BrN5O6P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14)/p-1/t3-,5-,6-,9-/m1/s1
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The Scripps Research Institute Molecular Screening Center

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


(Bos taurus)
BDBM81287
PNG
(6-(6-aminopurin-9-yl)-2-ethoxy-2-oxidanylidene-4a,...)
Show SMILES CCOP1(=O)OCC2OC(C(O)C2O1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N5O6P/c1-2-20-24(19)21-3-6-9(23-24)8(18)12(22-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18H,2-3H2,1H3,(H2,13,14,15)
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n/an/an/an/a 2.68E+3n/an/an/an/a



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


(Bos taurus)
BDBM81289
PNG
(Adenosine 3',5'-cyclic monophosphate sodiu...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1O
Show InChI InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/p-1/t4-,6-,7-,10-/m1/s1
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The Scripps Research Institute Molecular Screening Center

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


(Bos taurus)
BDBM81292
PNG
(8-Bromoadenosine 3',5'-cyclic monophosphat...)
Show SMILES Nc1ncnc2n([C@@H]3O[C@@H]4COP([O-])(=O)O[C@H]4[C@H]3O)c(Br)nc12
Show InChI InChI=1S/C10H11BrN5O6P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14)/p-1/t3-,5-,6-,9-/m1/s1
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n/an/an/an/a 34.4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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More data for this
Ligand-Target Pair
Grp78


(Homo sapiens (Human))
BDBM82124
PNG
(adenosine-derived inhibitor (Grp78), 1)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-1/t4-,6-,7-,10-/m1/s1
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PubMed
n/an/an/a 2.17E+3n/a 0.00500n/a7.425



Vernalis (R&D) Ltd.



Assay Description
SPR measurements wereperformed on BIAcore T100 instrument (BIAcore GE Healthcare), at25 C on series S NTA chips (certified) according to provider'...


J Med Chem 54: 4034-41 (2011)

More data for this
Ligand-Target Pair
Heat Shock 70kDa Protein 1


(Homo sapiens (Human))
BDBM82124
PNG
(adenosine-derived inhibitor (Grp78), 1)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-1/t4-,6-,7-,10-/m1/s1
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n/an/an/a 500n/an/an/a7.425



Vernalis (R&D) Ltd.



Assay Description
SPR measurements wereperformed on BIAcore T100 instrument (BIAcore GE Healthcare), at25 C on series S NTA chips (certified) according to provider'...


J Med Chem 54: 4034-41 (2011)

More data for this
Ligand-Target Pair
cyclic AMP receptor protein


(Vibrio cholerae O1 biovar El Tor str. N16961)
BDBM10851
PNG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O
Show InChI InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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n/an/a 1.30E+5n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

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Citation and Details
More data for this
Ligand-Target Pair
Phospholipase C, gamma 1


(Homo sapiens)
BDBM61258
PNG
((5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)([O-])=O)C(O)C1O
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)/p-1
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n/an/a 8.72E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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More data for this
Ligand-Target Pair
Phospholipase C, gamma 1


(Homo sapiens)
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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n/an/a 1.32E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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More data for this
Ligand-Target Pair
Phospholipase C-beta-3


(Homo sapiens)
BDBM61258
PNG
((5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)([O-])=O)C(O)C1O
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)/p-1
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n/an/a 1.22E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 87 total )  |  Next  |  Last  >>

Activity Spreadsheet -- ITC Data from BindingDB

Found 28 hits for monomerid = 2,10851,11940,11941,18137,25461,31995,61258,81287,81289,81292,82124,81570,81583,81585
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Thymidine Kinase (TK.dT)

(Human herpesvirus 1)
BDBM2
JPEG
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
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PC cid
PC sid
-9.034.77-13.86.597.525



Swiss Federal Institute of Technology





J Biol Chem 275: 16139-45 (2000)

Thymidine Kinase (TK.dT)

(Human herpesvirus 1)
BDBM2
JPEG
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
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PC cid
PC sid
-9.133.92-13.0n/a7.520



Swiss Federal Institute of Technology





J Biol Chem 275: 16139-45 (2000)

Thymidine Kinase (TK.dT)

(Human herpesvirus 1)
BDBM2
JPEG
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
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PC cid
PC sid
-8.933.17-12.1n/a7.515



Swiss Federal Institute of Technology





J Biol Chem 275: 16139-45 (2000)

Thymidine Kinase (TK.dT)

(Human herpesvirus 1)
BDBM2
JPEG
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
GoogleScholar
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PC cid
PC sid
-8.932.84-11.7n/a7.510



Swiss Federal Institute of Technology





J Biol Chem 275: 16139-45 (2000)

Cytochrome P450 Reductase (CPR)

(Homo sapiens (human))
BDBM11941
JPEG
(2,5-ADP | ADENOSINE-2 -5 -DIPHOSPHATE | {[(2R,3R,4...)
GoogleScholar
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PC cid
PC sid
PDB
-9.788.18-18.07.28725



University of Leicester





Biochemistry 45: 1421-34 (2006)

Cytochrome P450 Reductase (CPR)

(Homo sapiens (human))
BDBM11940
JPEG
(2-AMP | 2-Adenylic acid | Adenosine 2-monophosphat...)
GoogleScholar
PDB
CHEBI
KEGG
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PC cid
PC sid
PDB
-6.996.89-14.05.67725



University of Leicester





Biochemistry 45: 1421-34 (2006)

tRNA synthetase (GlyRS)

(Bombyx mori)
BDBM2
JPEG
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
GoogleScholar
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PC cid
PC sid
-7.318.81-17.25.407.2024.9



Medical College of Ohio





Biochemistry 42: 5333-40 (2003)

FAD-Binding Domain

(Homo sapiens (human))
BDBM11941
JPEG
(2,5-ADP | ADENOSINE-2 -5 -DIPHOSPHATE | {[(2R,3R,4...)
GoogleScholar
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KEGG
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PC cid
PC sid
PDB
-10.39.19-19.07.45725



University of Leicester





Biochemistry 45: 1421-34 (2006)

Heat Shock Protein 90 (Hsp90)

(Saccharomyces cerevisiae (Baker s yeast))
BDBM31995
JPEG
(ADP | Adenosine Diphosphate (ADP) | CHEMBL14830)
GoogleScholar
PDB
CHEBI
KEGG
MMDB
PC cid
PC sid
-6.4510.9-17.34.95810



University College London





J Mol Biol 392: 923-36 (2009)

Heat Shock Protein 90 (Hsp90)

(Saccharomyces cerevisiae (Baker s yeast))
BDBM31995
JPEG
(ADP | Adenosine Diphosphate (ADP) | CHEMBL14830)
GoogleScholar
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CHEBI
KEGG
MMDB
PC cid
PC sid
-6.5211.4-18.04.95815



University College London





J Mol Biol 392: 923-36 (2009)

Heat Shock Protein 90 (Hsp90)

(Saccharomyces cerevisiae (Baker s yeast))
BDBM31995
JPEG
(ADP | Adenosine Diphosphate (ADP) | CHEMBL14830)
GoogleScholar
PDB
CHEBI
KEGG
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PC cid
PC sid
-6.4711.0-17.54.90816



University College London





J Mol Biol 392: 923-36 (2009)

Heat Shock Protein 90 (Hsp90)

(Saccharomyces cerevisiae (Baker s yeast))
BDBM31995
JPEG
(ADP | Adenosine Diphosphate (ADP) | CHEMBL14830)
GoogleScholar
PDB
CHEBI
KEGG
MMDB
PC cid
PC sid
-6.2610.8-17.14.67820



University College London





J Mol Biol 392: 923-36 (2009)

Heat Shock Protein 90 (Hsp90)

(Saccharomyces cerevisiae (Baker s yeast))
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
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KEGG
PC cid
PC sid
-5.615.80-11.44.34810



University College London





J Mol Biol 392: 923-36 (2009)

Heat Shock Protein 90 (Hsp90)

(Saccharomyces cerevisiae (Baker s yeast))
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-5.406.07-11.54.08815



University College London





J Mol Biol 392: 923-36 (2009)

Heat Shock Protein 90 (Hsp90)

(Saccharomyces cerevisiae (Baker s yeast))
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-5.094.97-10.13.70825



University College London





J Mol Biol 392: 923-36 (2009)

Grp78

(Homo sapiens (Human))
BDBM82124
JPEG
(adenosine-derived inhibitor (Grp78), 1)
GoogleScholar
PDB
CHEBI
PC cid
PC sid
n/a-6.09-1.293.587.4025



Vernalis (R&D) Ltd.





J Med Chem 54: 4034-41 (2011)

cAMP-activated global transcriptional regulator CRP

(Escherichia coli)
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-6.59-14.88.194.917.8025



Durham University





PLoS Biol 11: (2013)

cAMP-activated global transcriptional regulator CRP

(Escherichia coli)
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-7.00-3.92-2.705.267.8025



Durham University





PLoS Biol 11: (2013)

cAMP-activated global transcriptional regulator CRP

(Escherichia coli)
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-6.90-4.91-2.015.087.8025



Durham University





PLoS Biol 11: (2013)

cAMP-activated global transcriptional regulator CRP

(Escherichia coli)
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-6.09-6.980.6934.567.8025



Durham University





PLoS Biol 11: (2013)

cAMP-activated global transcriptional regulator CRP

(Escherichia coli)
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-7.28-5.48-1.895.437.8025



Durham University





PLoS Biol 11: (2013)

cAMP-activated global transcriptional regulator CRP

(Escherichia coli)
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-7.69-13.76.095.617.8025



Durham University





PLoS Biol 11: (2013)

cAMP-activated global transcriptional regulator CRP

(Escherichia coli)
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-6.81-3.92-2.894.917.8025



Durham University





PLoS Biol 11: (2013)

cAMP-activated global transcriptional regulator CRP

(Escherichia coli)
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-6.59-16.49.794.917.8025



Durham University





PLoS Biol 11: (2013)

cAMP-activated global transcriptional regulator CRP

(Escherichia coli)
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-6.81-2.28-4.594.917.8025



Durham University





PLoS Biol 11: (2013)

cAMP-activated global transcriptional regulator CRP

(Escherichia coli)
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-7.19-19.912.35.267.8025



Durham University





PLoS Biol 11: (2013)

cAMP-activated global transcriptional regulator CRP

(Escherichia coli)
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-7.19-4.98-2.205.267.8025



Durham University





PLoS Biol 11: (2013)

cAMP-activated global transcriptional regulator CRP

(Escherichia coli)
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-6.90-14.17.195.087.8025



Durham University





PLoS Biol 11: (2013)