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19 similar compounds to monomer 81288

Compile data set for download or QSAR
Wt: 345.2
BDBM14391
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Wt: 407.0
BDBM81292
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Wt: 599.0
BDBM81335
Wt: 443.2
BDBM82232
Wt: 363.2
BDBM81822
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Wt: 361.2
BDBM92537
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Wt: 443.2
BDBM92459
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Wt: 443.2
BDBM50300554
Wt: 377.2
BDBM50316304
Wt: 363.2
BDBM50326433
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Wt: 427.1
BDBM50367010
Wt: 345.2
BDBM50369127
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Wt: 376.2
BDBM50370490
Wt: 346.2
BDBM50370491
Wt: 718.4
BDBM50436160
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 41 hits for monomerid = 14391,81292,81335,82232,81822,92537,92459,50300554,50316304,50326433,50367010,50369127,50370490,50370491,50436160   
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
Cholecystokinin


(RAT)
BDBM82232
PNG
(CAS_8977 | GDP | NSC_8977)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC(COP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)
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0.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by PDSP Ki Database




J Neurosci 4: 1021-33 (1984)


BindingDB Entry DOI: 10.7270/Q2P55M0W
More data for this
Ligand-Target Pair
Cholecystokinin


(RAT)
BDBM81822
PNG
(CAS_6804 | GMP | Guanosine | NSC_6804)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC(COP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)
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200n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by PDSP Ki Database




J Neurosci 4: 1021-33 (1984)


BindingDB Entry DOI: 10.7270/Q2P55M0W
More data for this
Ligand-Target Pair
Cholecystokinin


(RAT)
BDBM82232
PNG
(CAS_8977 | GDP | NSC_8977)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC(COP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)
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1.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by PDSP Ki Database




J Neurosci 4: 1021-33 (1984)


BindingDB Entry DOI: 10.7270/Q2P55M0W
More data for this
Ligand-Target Pair
Cholecystokinin


(RAT)
BDBM81822
PNG
(CAS_6804 | GMP | Guanosine | NSC_6804)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC(COP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)
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1.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by PDSP Ki Database




J Neurosci 4: 1021-33 (1984)


BindingDB Entry DOI: 10.7270/Q2P55M0W
More data for this
Ligand-Target Pair
PACAP


(RAT)
BDBM81822
PNG
(CAS_6804 | GMP | Guanosine | NSC_6804)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC(COP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Georg-August-University

Curated by PDSP Ki Database




Eur J Biochem 202: 951-8 (1991)


Article DOI: 10.1111/j.1432-1033.1991.tb16455.x
BindingDB Entry DOI: 10.7270/Q2PR7TG8
More data for this
Ligand-Target Pair
ADORA3


(RAT)
BDBM81822
PNG
(CAS_6804 | GMP | Guanosine | NSC_6804)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC(COP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM81822
PNG
(CAS_6804 | GMP | Guanosine | NSC_6804)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC(COP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM81822
PNG
(CAS_6804 | GMP | Guanosine | NSC_6804)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC(COP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
Deoxyribonucleoside 5'-monophosphate N-glycosidase (Rcl)


(Rattus norvegicus (Rat))
BDBM92537
PNG
(GMP)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC(COP([O-])([O-])=O)C(O)C1O
Show InChI InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2
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2.00E+4n/an/an/an/an/an/an/an/a



Institut Pasteur



Assay Description
Rcl inhibition by nucleotides.


J Biol Chem 285: 41806-14 (2010)


Article DOI: 10.1074/jbc.M110.181594
BindingDB Entry DOI: 10.7270/Q2DF6PT4
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (Human))
BDBM50326433
PNG
(((2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9(6H)-yl)...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(O)=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5+,6+,9-/m1/s1
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3.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli


J Med Chem 27: 429-32 (1984)


Article DOI: 10.1021/jm00370a003
BindingDB Entry DOI: 10.7270/Q2FJ2HZP
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase 9


(Homo sapiens (Human))
BDBM92459
PNG
(CHEMBL384759 | GDP | Guanosine Diphosphate)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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7.79E+4n/an/an/an/an/an/an/an/a



Hamburg University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting


Bioorg Med Chem 22: 6430-7 (2014)


Article DOI: 10.1016/j.bmc.2014.09.038
BindingDB Entry DOI: 10.7270/Q2G73GC7
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367010
PNG
(CHEMBL606265)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@@H]1O)n1c(Br)nc2c1nc[nH]c2=O
Show InChI InChI=1S/C10H12BrN4O8P/c11-10-14-4-7(12-2-13-8(4)18)15(10)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,12,13,18)(H2,19,20,21)/t3-,5-,6-,9?/m1/s1
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2.71E+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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))
BDBM50300554
PNG
(((2S,3R,4S,5S)-5-(2-amino-6-oxo-1H-purin-9(6H)-yl)...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(O)=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Exonhit Therapeutics, SA

Curated by ChEMBL


Assay Description
Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay


Bioorg Med Chem Lett 19: 5594-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase 9


(Homo sapiens (Human))
BDBM92459
PNG
(CHEMBL384759 | GDP | Guanosine Diphosphate)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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n/an/a 5.90E+4n/an/an/an/an/an/a



Hamburg University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting


Bioorg Med Chem 22: 6430-7 (2014)


Article DOI: 10.1016/j.bmc.2014.09.038
BindingDB Entry DOI: 10.7270/Q2G73GC7
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1/T-lymphoma invasion and metastasis-inducing protein 1


(Homo sapiens (Human))
BDBM50300554
PNG
(((2S,3R,4S,5S)-5-(2-amino-6-oxo-1H-purin-9(6H)-yl)...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(O)=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Exonhit Therapeutics, SA

Curated by ChEMBL


Assay Description
Inhibition of Rac1 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay


Bioorg Med Chem Lett 19: 5594-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Mus musculus)
BDBM50316304
PNG
(((2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/t4-,6-,7-,10-/m1/s1
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n/an/an/a 7.50E+3n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in presence of KKRYDREFLLGFQFIFA


Eur J Med Chem 45: 1304-13 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.054
BindingDB Entry DOI: 10.7270/Q21C1X1Q
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Fucosyltransferase 5


(Homo sapiens (Human))
BDBM92459
PNG
(CHEMBL384759 | GDP | Guanosine Diphosphate)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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n/an/a 6.70E+4n/an/an/an/an/an/a



Technische Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibitory activity against fucosyltransferase (FucT V) in the presence of fucosyl acceptor N-acetyllactosamine


Bioorg Med Chem Lett 11: 1809-11 (2001)


Article DOI: 10.1016/s0960-894x(01)00282-7
BindingDB Entry DOI: 10.7270/Q2FF3SWF
More data for this
Ligand-Target Pair
Heart phosphodiesterase


(Bos taurus)
BDBM50369127
PNG
(CHEMBL395336)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2CO[P@](O)(=O)O[C@H]2[C@H]1O
Show InChI InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Kyowa Hakka Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of bovine arterial Phosphodiesterase 3


J Med Chem 39: 297-303 (1996)


Article DOI: 10.1021/jm950197j
BindingDB Entry DOI: 10.7270/Q2V125GT
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E (eIF4E)


(Homo sapiens (Human))
BDBM50370490
PNG
(CHEMBL610599)
Show SMILES C[n+]1cn(C2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/p-1/t4-,6-,7-,10?/m1/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory concentration against 7-methyl-GTP binding to eukaryotic translation initiation factor 4E


Bioorg Med Chem Lett 15: 2177-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.080
BindingDB Entry DOI: 10.7270/Q27D2VWP
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E (eIF4E)


(Homo sapiens (Human))
BDBM50370491
PNG
(CHEMBL611110)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1O[C@H](COP([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(22-9)1-21-23(19)20/h2-3,5-6,9,16-17,23H,1H2,(H,19,20)(H3,11,13,14,18)/p-1/t3-,5-,6-,9?/m1/s1
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n/an/a 1.30E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory concentration against 7-methyl-GTP binding to eukaryotic translation initiation factor 4E


Bioorg Med Chem Lett 15: 2177-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.080
BindingDB Entry DOI: 10.7270/Q27D2VWP
More data for this
Ligand-Target Pair
Ketopantoate reductase


(Escherichia coli (strain K12))
BDBM92459
PNG
(CHEMBL384759 | GDP | Guanosine Diphosphate)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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n/an/an/a 3.73E+5n/an/an/an/an/a



University Chemical Laboratory

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli KPR


J Med Chem 49: 4992-5000 (2006)


Article DOI: 10.1021/jm060490r
BindingDB Entry DOI: 10.7270/Q28S4QQN
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM92459
PNG
(CHEMBL384759 | GDP | Guanosine Diphosphate)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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n/an/an/an/a 4.50E+4n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in 1321N1 cells assessed as PLC-mediated [3H]IP production


J Med Chem 49: 5532-43 (2006)


Article DOI: 10.1021/jm060485n
BindingDB Entry DOI: 10.7270/Q2ZC83NW
More data for this
Ligand-Target Pair
RocR


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50436160
PNG
(CHEMBL2398347)
Show SMILES CO[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]3O[C@H]([C@H](OC)[C@@H]3OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c1nc(N)[nH]c2=O)n1cnc2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C22H28N10O14P2/c1-39-13-11-7(43-19(13)31-5-25-9-15(31)27-21(23)29-17(9)33)3-41-48(37,38)46-12-8(4-42-47(35,36)45-11)44-20(14(12)40-2)32-6-26-10-16(32)28-22(24)30-18(10)34/h5-8,11-14,19-20H,3-4H2,1-2H3,(H,35,36)(H,37,38)(H3,23,27,29,33)(H3,24,28,30,34)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
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n/an/a 6.41E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Competitive binding affinity to Pseudomonas aeruginosa PAO1 His6-tagged RocR expressed in Escherichia coli BL21 (DE3) after 5 mins in presence of [32...


Bioorg Med Chem 21: 4396-404 (2013)


Article DOI: 10.1016/j.bmc.2013.04.050
BindingDB Entry DOI: 10.7270/Q2251KK0
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E (eIF4E)


(Homo sapiens (Human))
BDBM50316304
PNG
(((2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/t4-,6-,7-,10-/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]m7-GTP binding to human FLAG-His6 tagged eIF4E expressed in Escherichia coli by scintillation proximity assay


J Med Chem 55: 3837-51 (2012)


Article DOI: 10.1021/jm300037x
BindingDB Entry DOI: 10.7270/Q27082GX
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50316304
PNG
(((2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/t4-,6-,7-,10-/m1/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of eIF4E in rabbit reticulocyte cell lysate assessed as inhibition of cap-dependent translation after 90 mins by luciferase reporter gene ...


J Med Chem 55: 3837-51 (2012)


Article DOI: 10.1021/jm300037x
BindingDB Entry DOI: 10.7270/Q27082GX
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein kinase C-interacting protein 1


(Rattus norvegicus)
BDBM50326433
PNG
(((2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9(6H)-yl)...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(O)=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5+,6+,9-/m1/s1
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n/an/an/a 6.70E+4n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to mouse HINT1 by fluorescence quenching assay


Bioorg Med Chem 18: 6756-62 (2010)


Article DOI: 10.1016/j.bmc.2010.07.051
BindingDB Entry DOI: 10.7270/Q2ZP472H
More data for this
Ligand-Target Pair
Protein kinase C-interacting protein 1


(Rattus norvegicus)
BDBM50326433
PNG
(((2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9(6H)-yl)...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(O)=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5+,6+,9-/m1/s1
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n/an/an/a 6.00E+4n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to mouse HINT1 by NMR analysis


Bioorg Med Chem 18: 6756-62 (2010)


Article DOI: 10.1016/j.bmc.2010.07.051
BindingDB Entry DOI: 10.7270/Q2ZP472H
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50316304
PNG
(((2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/t4-,6-,7-,10-/m1/s1
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n/an/a 4.22E+4n/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of human DCPS using m7GMPF as substrate after 30 mins by nucleoside 5'-fluorophosphate probe based HTS assay


Bioorg Med Chem 26: 191-199 (2018)


BindingDB Entry DOI: 10.7270/Q2DZ0BWS
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM92459
PNG
(CHEMBL384759 | GDP | Guanosine Diphosphate)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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n/an/a>2.00E+5n/an/an/an/a7.522



Schering-Plough Research Institute



Assay Description
A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...


Arch Biochem Biophys 425: 51-7 (2004)


Article DOI: 10.1016/j.abb.2004.02.039
BindingDB Entry DOI: 10.7270/Q20C4TCS
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM92459
PNG
(CHEMBL384759 | GDP | Guanosine Diphosphate)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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n/an/a>2.00E+5n/an/an/an/a7.522



Schering-Plough Research Institute



Assay Description
A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...


Arch Biochem Biophys 425: 51-7 (2004)


Article DOI: 10.1016/j.abb.2004.02.039
BindingDB Entry DOI: 10.7270/Q20C4TCS
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM92459
PNG
(CHEMBL384759 | GDP | Guanosine Diphosphate)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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n/an/a>2.00E+5n/an/an/an/a7.322



Schering-Plough Research Institute



Assay Description
Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ...


Arch Biochem Biophys 425: 51-7 (2004)


Article DOI: 10.1016/j.abb.2004.02.039
BindingDB Entry DOI: 10.7270/Q20C4TCS
More data for this
Ligand-Target Pair
Alpha-(2,3)-(N)-sialyltransferase


(Homo sapiens (Human))
BDBM92459
PNG
(CHEMBL384759 | GDP | Guanosine Diphosphate)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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n/an/a>2.00E+5n/an/an/an/a7.322



Schering-Plough Research Institute



Assay Description
A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...


Arch Biochem Biophys 425: 51-7 (2004)


Article DOI: 10.1016/j.abb.2004.02.039
BindingDB Entry DOI: 10.7270/Q20C4TCS
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase IV


(Homo sapiens (Human))
BDBM92459
PNG
(CHEMBL384759 | GDP | Guanosine Diphosphate)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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n/an/a 2.40E+4n/an/an/an/a7.322



Schering-Plough Research Institute



Assay Description
A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...


Arch Biochem Biophys 425: 51-7 (2004)


Article DOI: 10.1016/j.abb.2004.02.039
BindingDB Entry DOI: 10.7270/Q20C4TCS
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase VII


(Homo sapiens (Human))
BDBM92459
PNG
(CHEMBL384759 | GDP | Guanosine Diphosphate)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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n/an/a 2.30E+3n/an/an/an/a7.322



Schering-Plough Research Institute



Assay Description
A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...


Arch Biochem Biophys 425: 51-7 (2004)


Article DOI: 10.1016/j.abb.2004.02.039
BindingDB Entry DOI: 10.7270/Q20C4TCS
More data for this
Ligand-Target Pair
FtsZ


(Aquifex aeolicus)
BDBM81335
PNG
(BrGTP (5b))
Show SMILES Nc1nc2n([C@@H]3O[C@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)C(O)C3O)c(Br)nc2c(=O)[nH]1
Show InChI InChI=1S/C10H15BrN5O14P3/c11-9-13-3-6(14-10(12)15-7(3)19)16(9)8-5(18)4(17)2(28-8)1-27-32(23,24)30-33(25,26)29-31(20,21)22/h2,4-5,8,17-18H,1H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,14,15,19)/p-3/t2-,4?,5?,8-/m1/s1
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n/an/a 6.02E+4n/an/an/an/a7.5n/a



University of Amsterdam



Assay Description
The binding affinities to FtsZ were determined by a fluorescent coupled assay for phosphate relase. In this GTPase studies, phosphate liberated durin...


Chem Biol 15: 189-99 (2008)


Article DOI: 10.1016/j.chembiol.2007.12.013
BindingDB Entry DOI: 10.7270/Q2P849CR
More data for this
Ligand-Target Pair
FtsZ


(Aquifex aeolicus)
BDBM81335
PNG
(BrGTP (5b))
Show SMILES Nc1nc2n([C@@H]3O[C@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)C(O)C3O)c(Br)nc2c(=O)[nH]1
Show InChI InChI=1S/C10H15BrN5O14P3/c11-9-13-3-6(14-10(12)15-7(3)19)16(9)8-5(18)4(17)2(28-8)1-27-32(23,24)30-33(25,26)29-31(20,21)22/h2,4-5,8,17-18H,1H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,14,15,19)/p-3/t2-,4?,5?,8-/m1/s1
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n/an/a 3.70E+4 126n/an/an/a7.5n/a



University of Amsterdam



Assay Description
The binding affinities to FtsZ were determined by a fluorescent competition assay with 2'/3'-O-(N-methyl-anthraniloyl)-guanosine-5'-triph...


Chem Biol 15: 189-99 (2008)


Article DOI: 10.1016/j.chembiol.2007.12.013
BindingDB Entry DOI: 10.7270/Q2P849CR
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...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29Z93B6
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase type II-beta regulatory subunit


(Homo sapiens (Human))
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 51.1n/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)


BindingDB Entry DOI: 10.7270/Q2FQ9V2J
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Mus musculus)
BDBM50316304
PNG
(((2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/t4-,6-,7-,10-/m1/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled m7GDPC4H5 binding to mouse eIF4E (28 to 217 residues) by MST method


Bioorg Med Chem 26: 191-199 (2018)


BindingDB Entry DOI: 10.7270/Q2DZ0BWS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2Q81BJK
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase type II-beta regulatory subunit


(Homo sapiens (Human))
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 51.1n/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)


BindingDB Entry DOI: 10.7270/Q2KH0KSD
More data for this
Ligand-Target Pair