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Compile Data Set for Download or QSAR

Found 18 hits of kd data for polymerid = 5153   
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
Phosphoethanolamine N-methyltransferase 1


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m1/s1
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n/an/an/a 700n/an/an/a7.55



Washington University



Assay Description
For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...


J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoethanolamine N-methyltransferase 1


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m1/s1
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n/an/an/a 800n/an/an/a7.510



Washington University



Assay Description
For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...


J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoethanolamine N-methyltransferase 1


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m1/s1
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n/an/an/a 900n/an/an/a7.54



Washington University



Assay Description
For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...


J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoethanolamine N-methyltransferase 1


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m1/s1
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n/an/an/a 1.10E+3n/an/an/a7.515



Washington University



Assay Description
For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...


J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoethanolamine N-methyltransferase 1


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m1/s1
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n/an/an/a 1.30E+3n/an/an/a7.54



Washington University



Assay Description
For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...


J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoethanolamine N-methyltransferase 1


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m1/s1
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n/an/an/a 1.60E+3n/an/an/a7.520



Washington University



Assay Description
For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...


J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoethanolamine N-methyltransferase 1


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m1/s1
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n/an/an/a 2.20E+3n/an/an/a7.54



Washington University



Assay Description
For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...


J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoethanolamine N-methyltransferase 1


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m1/s1
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n/an/an/a 2.50E+3n/an/an/a7.525



Washington University



Assay Description
For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...


J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoethanolamine N-methyltransferase 1


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
Show SMILES N[C@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m1/s1
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n/an/an/a 2.90E+3n/an/an/a7.54



Washington University



Assay Description
For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...


J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoethanolamine N-methyltransferase 1


(Caenorhabditis elegans)
BDBM28422
PNG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1
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n/an/an/a 5.80E+3n/an/an/a7.54



Washington University



Assay Description
For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...


J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoethanolamine N-methyltransferase 1


(Caenorhabditis elegans)
BDBM28422
PNG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1
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n/an/an/a 6.10E+3n/an/an/a7.55



Washington University



Assay Description
For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...


J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoethanolamine N-methyltransferase 1


(Caenorhabditis elegans)
BDBM28422
PNG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1
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n/an/an/a 8.20E+3n/an/an/a7.510



Washington University



Assay Description
For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...


J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoethanolamine N-methyltransferase 1


(Caenorhabditis elegans)
BDBM28422
PNG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1
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n/an/an/a 1.07E+4n/an/an/a7.54



Washington University



Assay Description
For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...


J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoethanolamine N-methyltransferase 1


(Caenorhabditis elegans)
BDBM28422
PNG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1
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n/an/an/a 1.14E+4n/an/an/a7.515



Washington University



Assay Description
For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...


J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoethanolamine N-methyltransferase 1


(Caenorhabditis elegans)
BDBM28422
PNG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1
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n/an/an/a 1.66E+4n/an/an/a7.520



Washington University



Assay Description
For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...


J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoethanolamine N-methyltransferase 1


(Caenorhabditis elegans)
BDBM28422
PNG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1
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n/an/an/a 1.91E+4n/an/an/a7.54



Washington University



Assay Description
For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...


J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoethanolamine N-methyltransferase 1


(Caenorhabditis elegans)
BDBM28422
PNG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1
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n/an/an/a 2.67E+4n/an/an/a7.525



Washington University



Assay Description
For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...


J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoethanolamine N-methyltransferase 1


(Caenorhabditis elegans)
BDBM28422
PNG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1
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Article
PubMed
n/an/an/a 4.72E+4n/an/an/a7.54



Washington University



Assay Description
For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...


J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair