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11 similar compounds to monomer 50446561

Compile data set for download or QSAR
Wt: 596.2
BDBM81338
Wt: 557.3
BDBM50192448
Wt: 423.3
BDBM50343897
Wt: 738.5
BDBM50343899
Wt: 772.9
BDBM50343900
Wt: 768.5
BDBM50343901
Wt: 752.5
BDBM50343902
Wt: 343.3
BDBM50422031
Purchase
Wt: 510.3
BDBM50446557
Wt: 677.4
BDBM50446559
Wt: 641.4
BDBM50446560

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 81338,50192448,50343897,50343899,50343900,50343901,50343902,50422031,50446557,50446559,50446560   
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
FtsZ


(Aquifex aeolicus)
BDBM81338
PNG
(PhGTP (10b))
Show SMILES Nc1nc2n([C@@H]3O[C@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)C(O)C3O)c(nc2c(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C16H20N5O14P3/c17-16-19-13-9(14(24)20-16)18-12(7-4-2-1-3-5-7)21(13)15-11(23)10(22)8(33-15)6-32-37(28,29)35-38(30,31)34-36(25,26)27/h1-5,8,10-11,15,22-23H,6H2,(H,28,29)(H,30,31)(H2,25,26,27)(H3,17,19,20,24)/p-3/t8-,10?,11?,15-/m1/s1
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n/an/a 7.10E+4n/an/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
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM50422031
PNG
(8-Phenyladenosine | CHEMBL1775010)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(nc12)-c1ccccc1
Show InChI InChI=1S/C16H17N5O4/c17-13-10-15(19-7-18-13)21(14(20-10)8-4-2-1-3-5-8)16-12(24)11(23)9(6-22)25-16/h1-5,7,9,11-12,16,22-24H,6H2,(H2,17,18,19)/t9-,11-,12-,16-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of Trypanosoma brucei


J Med Chem 37: 3605-13 (1994)


Article DOI: 10.1021/jm00047a017
BindingDB Entry DOI: 10.7270/Q26W9BQD
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50343897
PNG
(8-phenyl-Adenosine Mono Phosphate | CHEMBL1775011)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(nc12)-c1ccccc1
Show InChI InChI=1S/C16H18N5O7P/c17-13-10-15(19-7-18-13)21(14(20-10)8-4-2-1-3-5-8)16-12(23)11(22)9(28-16)6-27-29(24,25)26/h1-5,7,9,11-12,16,22-23H,6H2,(H2,17,18,19)(H2,24,25,26)/t9-,11-,12-,16-/m1/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged SIRT1 after 4 hrs by homogeneous fluorescent deacetylase assay


J Med Chem 54: 3492-9 (2011)


Article DOI: 10.1021/jm1013852
BindingDB Entry DOI: 10.7270/Q2D50N9Z
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50343899
PNG
(8-phenyl-Nicotinamide adenine dinucleotide | CHEMB...)
Show SMILES NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2c(nc3c(N)ncnc23)-c2ccccc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C27H31N7O14P2/c28-22-17-25(31-12-30-22)34(24(32-17)13-5-2-1-3-6-13)27-21(38)19(36)16(47-27)11-45-50(42,43)48-49(40,41)44-10-15-18(35)20(37)26(46-15)33-8-4-7-14(9-33)23(29)39/h1-9,12,15-16,18-21,26-27,35-38H,10-11H2,(H5-,28,29,30,31,39,40,41,42,43)/p-1/t15-,16-,18-,19-,20-,21-,26-,27-/m1/s1
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n/an/a 1.23E+5n/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminally His6-tagged SIRT2 after 4 hrs by homogeneous fluorescent deacetylase assay


J Med Chem 54: 3492-9 (2011)


Article DOI: 10.1021/jm1013852
BindingDB Entry DOI: 10.7270/Q2D50N9Z
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50343900
PNG
(8-(4-Chlorophenyl)-Nicotinamide adenine dinucleoti...)
Show SMILES NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2c(nc3c(N)ncnc23)-c2ccc(Cl)cc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C27H30ClN7O14P2/c28-14-5-3-12(4-6-14)24-33-17-22(29)31-11-32-25(17)35(24)27-21(39)19(37)16(48-27)10-46-51(43,44)49-50(41,42)45-9-15-18(36)20(38)26(47-15)34-7-1-2-13(8-34)23(30)40/h1-8,11,15-16,18-21,26-27,36-39H,9-10H2,(H5-,29,30,31,32,40,41,42,43,44)/p-1/t15-,16-,18-,19-,20-,21-,26-,27-/m1/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminally His6-tagged SIRT2 after 4 hrs by homogeneous fluorescent deacetylase assay


J Med Chem 54: 3492-9 (2011)


Article DOI: 10.1021/jm1013852
BindingDB Entry DOI: 10.7270/Q2D50N9Z
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50343901
PNG
(8-(4-Methoxyphenyl)-Nicotinamide adenine dinucleot...)
Show SMILES COc1ccc(cc1)-c1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(N)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C28H33N7O15P2/c1-45-15-6-4-13(5-7-15)25-33-18-23(29)31-12-32-26(18)35(25)28-22(39)20(37)17(49-28)11-47-52(43,44)50-51(41,42)46-10-16-19(36)21(38)27(48-16)34-8-2-3-14(9-34)24(30)40/h2-9,12,16-17,19-22,27-28,36-39H,10-11H2,1H3,(H5-,29,30,31,32,40,41,42,43,44)/p-1/t16-,17-,19-,20-,21-,22-,27-,28-/m1/s1
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n/an/a 4.30E+4n/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminally His6-tagged SIRT2 after 4 hrs by homogeneous fluorescent deacetylase assay


J Med Chem 54: 3492-9 (2011)


Article DOI: 10.1021/jm1013852
BindingDB Entry DOI: 10.7270/Q2D50N9Z
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM50422031
PNG
(8-Phenyladenosine | CHEMBL1775010)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(nc12)-c1ccccc1
Show InChI InChI=1S/C16H17N5O4/c17-13-10-15(19-7-18-13)21(14(20-10)8-4-2-1-3-5-8)16-12(24)11(23)9(6-22)25-16/h1-5,7,9,11-12,16,22-24H,6H2,(H2,17,18,19)/t9-,11-,12-,16-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of human erythrocyte


J Med Chem 37: 3605-13 (1994)


Article DOI: 10.1021/jm00047a017
BindingDB Entry DOI: 10.7270/Q26W9BQD
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50343897
PNG
(8-phenyl-Adenosine Mono Phosphate | CHEMBL1775011)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(nc12)-c1ccccc1
Show InChI InChI=1S/C16H18N5O7P/c17-13-10-15(19-7-18-13)21(14(20-10)8-4-2-1-3-5-8)16-12(23)11(22)9(28-16)6-27-29(24,25)26/h1-5,7,9,11-12,16,22-23H,6H2,(H2,17,18,19)(H2,24,25,26)/t9-,11-,12-,16-/m1/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminally His6-tagged SIRT2 after 4 hrs by homogeneous fluorescent deacetylase assay


J Med Chem 54: 3492-9 (2011)


Article DOI: 10.1021/jm1013852
BindingDB Entry DOI: 10.7270/Q2D50N9Z
More data for this
Ligand-Target Pair
Ketopantoate reductase


(Escherichia coli (strain K12))
BDBM50192448
PNG
([(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OCC2OC(O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/p-2/t5-,6?,8-,9-,10-,11-,14-,15?/m1/s1
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n/an/an/a 6.30E+6n/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
Transient receptor potential cation channel subfamily M member 2


(Homo sapiens (Human))
BDBM50446557
PNG
(CHEMBL3110204)
Show SMILES NC(Cc1ccc(cc1)-c1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C19H23N6O9P/c20-10(19(28)29)5-8-1-3-9(4-2-8)16-24-12-15(21)22-7-23-17(12)25(16)18-14(27)13(26)11(34-18)6-33-35(30,31)32/h1-4,7,10-11,13-14,18,26-27H,5-6,20H2,(H,28,29)(H2,21,22,23)(H2,30,31,32)/t10?,11-,13-,14-,18-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM2 expressed in HEK293 cells assessed as inhibition of ADPR-induced maximum outward potassium current at +15 mV by wh...


J Med Chem 56: 10079-102 (2013)


Article DOI: 10.1021/jm401497a
BindingDB Entry DOI: 10.7270/Q2CZ38P3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 2


(Homo sapiens (Human))
BDBM50446559
PNG
(CHEMBL3110213)
Show SMILES CC(=O)c1cccc(c1)-c1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC(O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H29N5O15P2/c1-9(29)10-3-2-4-11(5-10)20-27-14-19(24)25-8-26-21(14)28(20)22-17(32)15(30)12(41-22)6-39-44(35,36)43-45(37,38)40-7-13-16(31)18(33)23(34)42-13/h2-5,8,12-13,15-18,22-23,30-34H,6-7H2,1H3,(H,35,36)(H,37,38)(H2,24,25,26)/t12-,13-,15-,16-,17-,18-,22-,23?/m1/s1
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n/an/a 4.90E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM2 expressed in HEK293 cells assessed as inhibition of ADPR-induced maximum outward potassium current at +15 mV by wh...


J Med Chem 56: 10079-102 (2013)


Article DOI: 10.1021/jm401497a
BindingDB Entry DOI: 10.7270/Q2CZ38P3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 2


(Homo sapiens (Human))
BDBM50446560
PNG
(CHEMBL3110214)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4OC(O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c(nc12)-c1ccsc1
Show InChI InChI=1S/C19H25N5O14P2S/c20-15-10-17(22-6-21-15)24(16(23-10)7-1-2-41-5-7)18-13(27)11(25)8(36-18)3-34-39(30,31)38-40(32,33)35-4-9-12(26)14(28)19(29)37-9/h1-2,5-6,8-9,11-14,18-19,25-29H,3-4H2,(H,30,31)(H,32,33)(H2,20,21,22)/t8-,9-,11-,12-,13-,14-,18-,19?/m1/s1
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n/an/a 5.10E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM2 expressed in HEK293 cells assessed as inhibition of ADPR-induced maximum outward potassium current at +15 mV by wh...


J Med Chem 56: 10079-102 (2013)


Article DOI: 10.1021/jm401497a
BindingDB Entry DOI: 10.7270/Q2CZ38P3
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50343902
PNG
(8-(4-Methylphenyl)-Nicotinamide adenine dinucleoti...)
Show SMILES Cc1ccc(cc1)-c1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(N)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C28H33N7O14P2/c1-13-4-6-14(7-5-13)25-33-18-23(29)31-12-32-26(18)35(25)28-22(39)20(37)17(48-28)11-46-51(43,44)49-50(41,42)45-10-16-19(36)21(38)27(47-16)34-8-2-3-15(9-34)24(30)40/h2-9,12,16-17,19-22,27-28,36-39H,10-11H2,1H3,(H5-,29,30,31,32,40,41,42,43,44)/p-1/t16-,17-,19-,20-,21-,22-,27-,28-/m1/s1
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n/an/a 5.20E+4n/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminally His6-tagged SIRT2 after 4 hrs by homogeneous fluorescent deacetylase assay


J Med Chem 54: 3492-9 (2011)


Article DOI: 10.1021/jm1013852
BindingDB Entry DOI: 10.7270/Q2D50N9Z
More data for this
Ligand-Target Pair