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34 similar compounds to monomer 50165143

Compile data set for download or QSAR
Wt: 427.2
BDBM50076456
Wt: 572.3
BDBM50101904
Wt: 486.2
BDBM50101906
Wt: 440.2
BDBM50101907
Wt: 453.6
BDBM50027053
Wt: 431.3
BDBM50165117
Wt: 382.4
BDBM50165119
Wt: 396.4
BDBM50165134
Wt: 799.4
BDBM50294220
Wt: 533.1
BDBM50294222
Wt: 549.2
BDBM50294223
Wt: 377.2
BDBM50316304
Wt: 421.6
BDBM50099432
Wt: 320.3
BDBM50133393
Wt: 446.9
BDBM50093248
Displayed 1 to 15 (of 33 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 50076456,50101904,50101906,50101907,50027053,50165117,50165119,50165134,50294220,50294222,50294223,50316304,50099432,50133393,50093248   
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
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50133393
PNG
(CHEMBL3632829)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C15H16N2O4S/c16-22(20,21)14-7-5-12(6-8-14)11-1-3-13(4-2-11)15(19)17-9-10-18/h1-8,18H,9-10H2,(H,17,19)(H2,16,20,21)
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0.690n/an/an/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01144
BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50133393
PNG
(CHEMBL3632829)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C15H16N2O4S/c16-22(20,21)14-7-5-12(6-8-14)11-1-3-13(4-2-11)15(19)17-9-10-18/h1-8,18H,9-10H2,(H,17,19)(H2,16,20,21)
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8.40n/an/an/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01144
BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50133393
PNG
(CHEMBL3632829)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C15H16N2O4S/c16-22(20,21)14-7-5-12(6-8-14)11-1-3-13(4-2-11)15(19)17-9-10-18/h1-8,18H,9-10H2,(H,17,19)(H2,16,20,21)
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12n/an/an/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01144
BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50027053
PNG
(CHEMBL2111681)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C27H39N3O3/c1-18(2)25(29-26(33)24(28)14-20-8-10-22(31)11-9-20)17-30-13-12-27(4,19(3)16-30)21-6-5-7-23(32)15-21/h5-11,15,18-19,24-25,31-32H,12-14,16-17,28H2,1-4H3,(H,29,33)/t19-,24-,25+,27+/m0/s1
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20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50133393
PNG
(CHEMBL3632829)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C15H16N2O4S/c16-22(20,21)14-7-5-12(6-8-14)11-1-3-13(4-2-11)15(19)17-9-10-18/h1-8,18H,9-10H2,(H,17,19)(H2,16,20,21)
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26n/an/an/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01144
BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50133393
PNG
(CHEMBL3632829)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C15H16N2O4S/c16-22(20,21)14-7-5-12(6-8-14)11-1-3-13(4-2-11)15(19)17-9-10-18/h1-8,18H,9-10H2,(H,17,19)(H2,16,20,21)
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47n/an/an/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01144
BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50027053
PNG
(CHEMBL2111681)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C27H39N3O3/c1-18(2)25(29-26(33)24(28)14-20-8-10-22(31)11-9-20)17-30-13-12-27(4,19(3)16-30)21-6-5-7-23(32)15-21/h5-11,15,18-19,24-25,31-32H,12-14,16-17,28H2,1-4H3,(H,29,33)/t19-,24-,25+,27+/m0/s1
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208n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027053
PNG
(CHEMBL2111681)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C27H39N3O3/c1-18(2)25(29-26(33)24(28)14-20-8-10-22(31)11-9-20)17-30-13-12-27(4,19(3)16-30)21-6-5-7-23(32)15-21/h5-11,15,18-19,24-25,31-32H,12-14,16-17,28H2,1-4H3,(H,29,33)/t19-,24-,25+,27+/m0/s1
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>5.05E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to Opioid receptor delta 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294220
PNG
(2-amino-9-[(2R,3R,4S,5R)-5-{[({[({[(2R,3S,4R,5R)-5...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C21H29N10O18P3/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(47-19)3-45-51(40,41)49-52(42,43)48-50(38,39)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,43)/p-3/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
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1.71E+4n/an/an/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of rabbit beta-glo...


Bioorg Med Chem Lett 19: 1921-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.053
BindingDB Entry DOI: 10.7270/Q2NP24FN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294223
PNG
(2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-{[({[(pho...)
Show SMILES C[n+]1cn(C2OC(COP([S-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C(O)C2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C11H18N5O13P3S/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(27-10)2-26-32(25,33)29-31(23,24)28-30(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,33)/p-4
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n/an/a 1.44E+3n/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of m7,3'-O-GpppG-c...


Bioorg Med Chem Lett 19: 1921-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.053
BindingDB Entry DOI: 10.7270/Q2NP24FN
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)
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294223
PNG
(2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-{[({[(pho...)
Show SMILES C[n+]1cn(C2OC(COP([S-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C(O)C2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C11H18N5O13P3S/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(27-10)2-26-32(25,33)29-31(23,24)28-30(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,33)/p-4
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n/an/a 560n/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of m7,3'-O-GpppG-c...


Bioorg Med Chem Lett 19: 1921-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.053
BindingDB Entry DOI: 10.7270/Q2NP24FN
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294223
PNG
(2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-{[({[(pho...)
Show SMILES C[n+]1cn(C2OC(COP([S-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C(O)C2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C11H18N5O13P3S/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(27-10)2-26-32(25,33)29-31(23,24)28-30(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,33)/p-4
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of m7,3'-O-GpppG-c...


Bioorg Med Chem Lett 19: 1921-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.053
BindingDB Entry DOI: 10.7270/Q2NP24FN
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294222
PNG
(((2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxido-9H-puri...)
Show SMILES C[n+]1cn(C2OC(COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C(O)C2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/p-4
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n/an/a 4.39E+3n/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of rabbit beta-glo...


Bioorg Med Chem Lett 19: 1921-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.053
BindingDB Entry DOI: 10.7270/Q2NP24FN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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)
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294220
PNG
(2-amino-9-[(2R,3R,4S,5R)-5-{[({[({[(2R,3S,4R,5R)-5...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C21H29N10O18P3/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(47-19)3-45-51(40,41)49-52(42,43)48-50(38,39)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,43)/p-3/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eIF4E-mediated mRNA translation in rabbit reticulocyte lysate pre-incubated for 60 mins prior to mRNA addition by luciferase reporter g...


Bioorg Med Chem 20: 1699-710 (2012)


Article DOI: 10.1016/j.bmc.2012.01.013
BindingDB Entry DOI: 10.7270/Q2ZW1MC1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294220
PNG
(2-amino-9-[(2R,3R,4S,5R)-5-{[({[({[(2R,3S,4R,5R)-5...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C21H29N10O18P3/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(47-19)3-45-51(40,41)49-52(42,43)48-50(38,39)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,43)/p-3/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
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n/an/a 8.30E+3n/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eIF4E-mediated mRNA translation in rabbit reticulocyte lysate by luciferase reporter gene assay


Bioorg Med Chem 20: 1699-710 (2012)


Article DOI: 10.1016/j.bmc.2012.01.013
BindingDB Entry DOI: 10.7270/Q2ZW1MC1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Fucosyltransferase 5


(Homo sapiens (Human))
BDBM50101906
PNG
(CHEMBL53188 | GDP-Azasugar analogue)
Show SMILES [NH3+]CCOP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc([NH3+])[nH]c2=O
Show InChI InChI=1S/C12H20N6O11P2/c13-1-2-26-30(22,23)29-31(24,25)27-3-5-7(19)8(20)11(28-5)18-4-15-6-9(18)16-12(14)17-10(6)21/h4-5,7-8,11,19-20H,1-3,13H2,(H,22,23)(H,24,25)(H3,14,16,17,21)/t5-,7-,8-,11-/m1/s1
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n/an/a>1.00E+6n/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
Fucosyltransferase 5


(Homo sapiens (Human))
BDBM50101907
PNG
(({[(2R,3S,4R,5R)-5-(2-azaniumyl-6-hydroxy-9H-purin...)
Show SMILES CP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc([NH3+])[nH]c2=O
Show InChI InChI=1S/C11H17N5O10P2/c1-27(20,21)26-28(22,23)24-2-4-6(17)7(18)10(25-4)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H,20,21)(H,22,23)(H3,12,14,15,19)/p-1/t4-,6-,7-,10-/m1/s1
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n/an/a>5.00E+5n/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
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076456
PNG
(CHEMBL264849 | Phosphoric acid mono-[5-(2-amino-6-...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1CC(OP(O)(O)=O)C(COP(O)(O)=O)O1
Show InChI InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(16)14-10)12-3-15(8)6-1-4(25-27(20,21)22)5(24-6)2-23-26(17,18)19/h3-6H,1-2H2,(H2,17,18,19)(H2,20,21,22)(H3,11,13,14,16)
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n/an/a 1.49E+4n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E (eIF4E)


(Homo sapiens (Human))
BDBM50165117
PNG
(2-amino-6-hydroxy-9-[(2R,4S,5R)-5-[(phosphinatooxy...)
Show SMILES CC(C)O[C@H]1[C@@H](COP([O-])=O)O[C@H](C1OC(C)C)n1c[nH+]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C16H26N5O7P/c1-7(2)26-11-9(5-25-29(23)24)28-15(12(11)27-8(3)4)21-6-18-10-13(21)19-16(17)20-14(10)22/h6-9,11-12,15,29H,5H2,1-4H3,(H,23,24)(H3,17,19,20,22)/t9-,11+,12?,15-/m1/s1
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n/an/a 1.80E+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
Eukaryotic translation initiation factor 4E (eIF4E)


(Homo sapiens (Human))
BDBM50165119
PNG
(2-Amino-9-((2R,4S,5R)-5-hydroxymethyl-3,4-diisopro...)
Show SMILES CC(C)O[C@H]1[C@@H](CO)O[C@H](C1OC(C)C)n1c[n+](C)c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C17H27N5O5/c1-8(2)25-12-10(6-23)27-16(13(12)26-9(3)4)22-7-21(5)11-14(22)19-17(18)20-15(11)24/h7-10,12-13,16,23H,6H2,1-5H3,(H2-,18,19,20,24)/p+1/t10-,12+,13?,16-/m1/s1
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n/an/a>4.00E+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
Eukaryotic translation initiation factor 4E (eIF4E)


(Homo sapiens (Human))
BDBM50165134
PNG
(2-Amino-7-ethyl-9-((2R,4S,5R)-5-hydroxymethyl-3,4-...)
Show SMILES CC[n+]1cn([C@@H]2O[C@H](CO)[C@H](OC(C)C)C2OC(C)C)c2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C18H29N5O5/c1-6-22-8-23(15-12(22)16(25)21-18(19)20-15)17-14(27-10(4)5)13(26-9(2)3)11(7-24)28-17/h8-11,13-14,17,24H,6-7H2,1-5H3,(H2-,19,20,21,25)/p+1/t11-,13+,14?,17-/m1/s1
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n/an/a>4.00E+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
Fucosyltransferase 5


(Homo sapiens (Human))
BDBM50101904
PNG
(CHEMBL52741 | GDP-Azasugar analogue)
Show SMILES C[C@@H]1[NH2+][C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc([NH3+])[nH]c3=O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C16H26N6O13P2/c1-5-9(23)10(24)6(19-5)2-32-36(28,29)35-37(30,31)33-3-7-11(25)12(26)15(34-7)22-4-18-8-13(22)20-16(17)21-14(8)27/h4-7,9-12,15,19,23-26H,2-3H2,1H3,(H,28,29)(H,30,31)(H3,17,20,21,27)/t5-,6+,7+,9+,10+,11+,12+,15+/m0/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



Technische Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated luteinizing hormone (LH) release in rat pituitary cells


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
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)
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
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294223
PNG
(2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-{[({[(pho...)
Show SMILES C[n+]1cn(C2OC(COP([S-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C(O)C2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C11H18N5O13P3S/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(27-10)2-26-32(25,33)29-31(23,24)28-30(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,33)/p-4
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n/an/a 560n/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of m7,3'-O-GpppG-c...


Bioorg Med Chem Lett 19: 1921-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.053
BindingDB Entry DOI: 10.7270/Q2NP24FN
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294222
PNG
(((2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxido-9H-puri...)
Show SMILES C[n+]1cn(C2OC(COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C(O)C2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/p-4
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of m7,3'-O-GpppG-c...


Bioorg Med Chem Lett 19: 1921-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.053
BindingDB Entry DOI: 10.7270/Q2NP24FN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294220
PNG
(2-amino-9-[(2R,3R,4S,5R)-5-{[({[({[(2R,3S,4R,5R)-5...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C21H29N10O18P3/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(47-19)3-45-51(40,41)49-52(42,43)48-50(38,39)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,43)/p-3/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
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n/an/a 8.30E+3n/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of m7,3'-O-GpppG-c...


Bioorg Med Chem Lett 19: 1921-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.053
BindingDB Entry DOI: 10.7270/Q2NP24FN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cholinesterases


(Homo sapiens (Human))
BDBM50099432
PNG
(CHEMBL3339007)
Show SMILES CCCCN(CCCC)CCCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C28H39NO2/c1-3-5-21-29(22-6-4-2)23-11-8-12-24-31-27-18-16-26(17-19-27)28(30)20-15-25-13-9-7-10-14-25/h7,9-10,13-20H,3-6,8,11-12,21-24H2,1-2H3/b20-15+
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n/an/a 9.69E+4n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate incubated for 25 mins by Ellman's method


Bioorg Med Chem 22: 6124-33 (2014)


Article DOI: 10.1016/j.bmc.2014.08.033
BindingDB Entry DOI: 10.7270/Q2474CNV
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50099432
PNG
(CHEMBL3339007)
Show SMILES CCCCN(CCCC)CCCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C28H39NO2/c1-3-5-21-29(22-6-4-2)23-11-8-12-24-31-27-18-16-26(17-19-27)28(30)20-15-25-13-9-7-10-14-25/h7,9-10,13-20H,3-6,8,11-12,21-24H2,1-2H3/b20-15+
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n/an/a 7.69E+4n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 25 mins by Ellman's method


Bioorg Med Chem 22: 6124-33 (2014)


Article DOI: 10.1016/j.bmc.2014.08.033
BindingDB Entry DOI: 10.7270/Q2474CNV
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50093248
PNG
(CHEMBL3586587)
Show SMILES Cl.CN(Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1)Cc1cccc(c1)C#N
Show InChI InChI=1S/C26H22N2O3.ClH/c1-28(16-20-5-2-4-19(12-20)15-27)17-21-6-3-7-22(13-21)18-30-24-10-8-23-9-11-26(29)31-25(23)14-24;/h2-14H,16-18H2,1H3;1H
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n/an/a 2.80E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method


J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50093248
PNG
(CHEMBL3586587)
Show SMILES Cl.CN(Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1)Cc1cccc(c1)C#N
Show InChI InChI=1S/C26H22N2O3.ClH/c1-28(16-20-5-2-4-19(12-20)15-27)17-21-6-3-7-22(13-21)18-30-24-10-8-23-9-11-26(29)31-25(23)14-24;/h2-14H,16-18H2,1H3;1H
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n/an/a 4.20E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method


J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50093248
PNG
(CHEMBL3586587)
Show SMILES Cl.CN(Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1)Cc1cccc(c1)C#N
Show InChI InChI=1S/C26H22N2O3.ClH/c1-28(16-20-5-2-4-19(12-20)15-27)17-21-6-3-7-22(13-21)18-30-24-10-8-23-9-11-26(29)31-25(23)14-24;/h2-14H,16-18H2,1H3;1H
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n/an/a 3.70E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay


J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Fucosyltransferase 5


(Homo sapiens (Human))
BDBM50101904
PNG
(CHEMBL52741 | GDP-Azasugar analogue)
Show SMILES C[C@@H]1[NH2+][C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc([NH3+])[nH]c3=O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C16H26N6O13P2/c1-5-9(23)10(24)6(19-5)2-32-36(28,29)35-37(30,31)33-3-7-11(25)12(26)15(34-7)22-4-18-8-13(22)20-16(17)21-14(8)27/h4-7,9-12,15,19,23-26H,2-3H2,1H3,(H,28,29)(H,30,31)(H3,17,20,21,27)/t5-,6+,7+,9+,10+,11+,12+,15+/m0/s1
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n/an/a 8.20E+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 10 mM 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
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50294222
PNG
(((2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxido-9H-puri...)
Show SMILES C[n+]1cn(C2OC(COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C(O)C2O)c2nc(N)[n-]c(=O)c12
Show InChI InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/p-4
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of m7,3'-O-GpppG-c...


Bioorg Med Chem Lett 19: 1921-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.053
BindingDB Entry DOI: 10.7270/Q2NP24FN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)