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Compile Data Set for Download or QSAR

Found 16 hits of ic50 data for polymerid = 6774   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
alpha-2,3-sialyltransferase


(Rattus norvegicus (Rat))		BDBM142773
PNG
(US8940719, 22)
Show SMILES C[C@H](CCCn1cc(CCCC(O)=O)nn1)C1CC[C@H]2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C30H49N3O3/c1-20(6-5-17-33-19-22(31-32-33)7-4-8-28(35)36)25-11-12-26-24-10-9-21-18-23(34)13-15-29(21,2)27(24)14-16-30(25,26)3/h19-21,23-27,34H,4-18H2,1-3H3,(H,35,36)/t20-,21-,23-,24?,25?,26+,27?,29+,30-/m1/s1
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Assay Description
Enzyme activity was determined by monitoring the quantity of sialylated disaccharide product produced over time at 348 nm by RP-HPLC (Supelco Discove...

US Patent US8940719 (2015)


BindingDB Entry DOI: 10.7270/Q2VM4B07
More data for this
Ligand-Target Pair
alpha-2,3-sialyltransferase


(Rattus norvegicus (Rat))		BDBM142768
PNG
(US8940719, 17)
Show SMILES C[C@H](CCC(O)=O)C1CC[C@H]2C3CC[C@@H]4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)[C@H](N)CC(O)=O
Show InChI InChI=1S/C28H45NO6/c1-16(4-9-24(30)31)20-7-8-21-19-6-5-17-14-18(35-26(34)23(29)15-25(32)33)10-12-27(17,2)22(19)11-13-28(20,21)3/h16-23H,4-15,29H2,1-3H3,(H,30,31)(H,32,33)/t16-,17-,18-,19?,20?,21+,22?,23-,27+,28-/m1/s1
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Assay Description
Enzyme activity was determined by monitoring the quantity of sialylated disaccharide product produced over time at 348 nm by RP-HPLC (Supelco Discove...

US Patent US8940719 (2015)


BindingDB Entry DOI: 10.7270/Q2VM4B07
More data for this
Ligand-Target Pair
alpha-2,3-sialyltransferase


(Rattus norvegicus (Rat))		BDBM142771
PNG
(US8940719, 20)
Show SMILES CCOP(=O)(OCC)C(Cc1cn(CCC[C@@H](C)C2CC[C@H]3C4CC[C@@H]5C[C@H](O)CC[C@]5(C)C4CC[C@]23C)nn1)C(O)=O
Show InChI InChI=1S/C33H56N3O6P/c1-6-41-43(40,42-7-2)30(31(38)39)20-24-21-36(35-34-24)18-8-9-22(3)27-12-13-28-26-11-10-23-19-25(37)14-16-32(23,4)29(26)15-17-33(27,28)5/h21-23,25-30,37H,6-20H2,1-5H3,(H,38,39)/t22-,23-,25-,26?,27?,28+,29?,30?,32+,33-/m1/s1
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Assay Description
Enzyme activity was determined by monitoring the quantity of sialylated disaccharide product produced over time at 348 nm by RP-HPLC (Supelco Discove...

US Patent US8940719 (2015)


BindingDB Entry DOI: 10.7270/Q2VM4B07
More data for this
Ligand-Target Pair
alpha-2,3-sialyltransferase


(Rattus norvegicus (Rat))		BDBM142772
PNG
(US8940719, 21)
Show SMILES C[C@H](CCCn1cc(CCC(O)=O)nn1)C1CC[C@H]2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C29H47N3O3/c1-19(5-4-16-32-18-21(30-31-32)7-11-27(34)35)24-9-10-25-23-8-6-20-17-22(33)12-14-28(20,2)26(23)13-15-29(24,25)3/h18-20,22-26,33H,4-17H2,1-3H3,(H,34,35)/t19-,20-,22-,23?,24?,25+,26?,28+,29-/m1/s1
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Assay Description
Enzyme activity was determined by monitoring the quantity of sialylated disaccharide product produced over time at 348 nm by RP-HPLC (Supelco Discove...

US Patent US8940719 (2015)


BindingDB Entry DOI: 10.7270/Q2VM4B07
More data for this
Ligand-Target Pair
alpha-2,3-sialyltransferase


(Rattus norvegicus (Rat))		BDBM142764
PNG
(US8940719, 13)
Show SMILES C[C@H](CCC(O)=O)C1CC[C@H]2C3CC[C@@H]4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)[C@@H](N)CC(O)=O
Show InChI InChI=1S/C28H45NO6/c1-16(4-9-24(30)31)20-7-8-21-19-6-5-17-14-18(35-26(34)23(29)15-25(32)33)10-12-27(17,2)22(19)11-13-28(20,21)3/h16-23H,4-15,29H2,1-3H3,(H,30,31)(H,32,33)/t16-,17-,18-,19?,20?,21+,22?,23+,27+,28-/m1/s1
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Assay Description
Enzyme activity was determined by monitoring the quantity of sialylated disaccharide product produced over time at 348 nm by RP-HPLC (Supelco Discove...

US Patent US8940719 (2015)


BindingDB Entry DOI: 10.7270/Q2VM4B07
More data for this
Ligand-Target Pair
alpha-2,3-sialyltransferase


(Rattus norvegicus (Rat))		BDBM142763
PNG
(US8940719, 12)
Show SMILES C[C@H](CCC(O)=O)C1CC[C@H]2C3CC[C@@H]4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCC(O)=O
Show InChI InChI=1S/C28H44O6/c1-17(4-9-24(29)30)21-7-8-22-20-6-5-18-16-19(34-26(33)11-10-25(31)32)12-14-27(18,2)23(20)13-15-28(21,22)3/h17-23H,4-16H2,1-3H3,(H,29,30)(H,31,32)/t17-,18-,19-,20?,21?,22+,23?,27+,28-/m1/s1
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Assay Description
Enzyme activity was determined by monitoring the quantity of sialylated disaccharide product produced over time at 348 nm by RP-HPLC (Supelco Discove...

US Patent US8940719 (2015)


BindingDB Entry DOI: 10.7270/Q2VM4B07
More data for this
Ligand-Target Pair
alpha-2,3-sialyltransferase


(Rattus norvegicus (Rat))		BDBM142765
PNG
(US8940719, 14)
Show SMILES C[C@H](CCC(=O)OC(C)(C)C)C1CC[C@H]2C3CC[C@@H]4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCC(O)=O
Show InChI InChI=1S/C32H52O6/c1-20(7-13-29(36)38-30(2,3)4)24-10-11-25-23-9-8-21-19-22(37-28(35)14-12-27(33)34)15-17-31(21,5)26(23)16-18-32(24,25)6/h20-26H,7-19H2,1-6H3,(H,33,34)/t20-,21-,22-,23?,24?,25+,26?,31+,32-/m1/s1
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Assay Description
Enzyme activity was determined by monitoring the quantity of sialylated disaccharide product produced over time at 348 nm by RP-HPLC (Supelco Discove...

US Patent US8940719 (2015)


BindingDB Entry DOI: 10.7270/Q2VM4B07
More data for this
Ligand-Target Pair
alpha-2,3-sialyltransferase


(Rattus norvegicus (Rat))		BDBM142761
PNG
(US8940719, 10)
Show SMILES C[C@H](CCC(=O)N[C@@H](CC(O)=O)C(O)=O)C1CC[C@H]2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C28H45NO6/c1-16(4-9-24(31)29-23(26(34)35)15-25(32)33)20-7-8-21-19-6-5-17-14-18(30)10-12-27(17,2)22(19)11-13-28(20,21)3/h16-23,30H,4-15H2,1-3H3,(H,29,31)(H,32,33)(H,34,35)/t16-,17-,18-,19?,20?,21+,22?,23+,27+,28-/m1/s1
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Assay Description
Enzyme activity was determined by monitoring the quantity of sialylated disaccharide product produced over time at 348 nm by RP-HPLC (Supelco Discove...

US Patent US8940719 (2015)


BindingDB Entry DOI: 10.7270/Q2VM4B07
More data for this
Ligand-Target Pair
alpha-2,3-sialyltransferase


(Rattus norvegicus (Rat))		BDBM142767
PNG
(US8940719, 16)
Show SMILES C[C@H](CCC(=O)N[C@@H](CC(O)=O)C(O)=O)C1CC[C@H]2C3CC[C@@H]4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCC(O)=O
Show InChI InChI=1S/C32H49NO9/c1-18(4-9-26(34)33-25(30(40)41)17-28(37)38)22-7-8-23-21-6-5-19-16-20(42-29(39)11-10-27(35)36)12-14-31(19,2)24(21)13-15-32(22,23)3/h18-25H,4-17H2,1-3H3,(H,33,34)(H,35,36)(H,37,38)(H,40,41)/t18-,19-,20-,21?,22?,23+,24?,25+,31+,32-/m1/s1
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Assay Description
Enzyme activity was determined by monitoring the quantity of sialylated disaccharide product produced over time at 348 nm by RP-HPLC (Supelco Discove...

US Patent US8940719 (2015)


BindingDB Entry DOI: 10.7270/Q2VM4B07
More data for this
Ligand-Target Pair
alpha-2,3-sialyltransferase


(Rattus norvegicus (Rat))		BDBM142766
PNG
(US8940719, 15)
Show SMILES C[C@H](CCC(=O)NCC(O)=O)C1CC[C@H]2C3CC[C@@H]4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCC(O)=O
Show InChI InChI=1S/C30H47NO7/c1-18(4-9-25(32)31-17-27(35)36)22-7-8-23-21-6-5-19-16-20(38-28(37)11-10-26(33)34)12-14-29(19,2)24(21)13-15-30(22,23)3/h18-24H,4-17H2,1-3H3,(H,31,32)(H,33,34)(H,35,36)/t18-,19-,20-,21?,22?,23+,24?,29+,30-/m1/s1
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Assay Description
Enzyme activity was determined by monitoring the quantity of sialylated disaccharide product produced over time at 348 nm by RP-HPLC (Supelco Discove...

US Patent US8940719 (2015)


BindingDB Entry DOI: 10.7270/Q2VM4B07
More data for this
Ligand-Target Pair
alpha-2,3-sialyltransferase


(Rattus norvegicus (Rat))		BDBM142760
PNG
(US8940719, 9)
Show SMILES C[C@H](CCC(=O)NCC(O)=O)C1CC[C@H]2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/t16-,17-,18-,19?,20?,21+,22?,25+,26-/m1/s1
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Assay Description
Enzyme activity was determined by monitoring the quantity of sialylated disaccharide product produced over time at 348 nm by RP-HPLC (Supelco Discove...

US Patent US8940719 (2015)


BindingDB Entry DOI: 10.7270/Q2VM4B07
More data for this
Ligand-Target Pair
alpha-2,3-sialyltransferase


(Rattus norvegicus (Rat))		BDBM142770
PNG
(US8940719, 19)
Show SMILES C[C@H](CCCn1cc(CC(N)C(O)=O)nn1)C1CC[C@H]2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C29H48N4O3/c1-18(5-4-14-33-17-20(31-32-33)16-26(30)27(35)36)23-8-9-24-22-7-6-19-15-21(34)10-12-28(19,2)25(22)11-13-29(23,24)3/h17-19,21-26,34H,4-16,30H2,1-3H3,(H,35,36)/t18-,19-,21-,22?,23?,24+,25?,26?,28+,29-/m1/s1
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Assay Description
Enzyme activity was determined by monitoring the quantity of sialylated disaccharide product produced over time at 348 nm by RP-HPLC (Supelco Discove...

US Patent US8940719 (2015)


BindingDB Entry DOI: 10.7270/Q2VM4B07
More data for this
Ligand-Target Pair
alpha-2,3-sialyltransferase


(Rattus norvegicus (Rat))		BDBM142769
PNG
(US8940719, 18)
Show SMILES C[C@H](CCCn1cc(CCO)nn1)C1CC[C@H]2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C28H47N3O2/c1-19(5-4-15-31-18-21(12-16-32)29-30-31)24-8-9-25-23-7-6-20-17-22(33)10-13-27(20,2)26(23)11-14-28(24,25)3/h18-20,22-26,32-33H,4-17H2,1-3H3/t19-,20-,22-,23?,24?,25+,26?,27+,28-/m1/s1
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Assay Description
Enzyme activity was determined by monitoring the quantity of sialylated disaccharide product produced over time at 348 nm by RP-HPLC (Supelco Discove...

US Patent US8940719 (2015)


BindingDB Entry DOI: 10.7270/Q2VM4B07
More data for this
Ligand-Target Pair
alpha-2,3-sialyltransferase


(Rattus norvegicus (Rat))		BDBM142759
PNG
(US8940719, 8)
Show SMILES C[C@H](CCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C1CC[C@H]2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C36H51O5P/c1-26(11-10-24-39-42(38,40-29-12-6-4-7-13-29)41-30-14-8-5-9-15-30)32-18-19-33-31-17-16-27-25-28(37)20-22-35(27,2)34(31)21-23-36(32,33)3/h4-9,12-15,26-28,31-34,37H,10-11,16-25H2,1-3H3/t26-,27-,28-,31?,32?,33+,34?,35+,36-/m1/s1
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Assay Description
Enzyme activity was determined by monitoring the quantity of sialylated disaccharide product produced over time at 348 nm by RP-HPLC (Supelco Discove...

US Patent US8940719 (2015)


BindingDB Entry DOI: 10.7270/Q2VM4B07
More data for this
Ligand-Target Pair
alpha-2,3-sialyltransferase


(Rattus norvegicus (Rat))		BDBM142762
PNG
(US8940719, 11)
Show SMILES C[C@H](CCC(O)=O)C1CC[C@H]2C3CC[C@@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/t15-,16-,18?,19?,20+,21?,23+,24-/m1/s1
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Assay Description
Enzyme activity was determined by monitoring the quantity of sialylated disaccharide product produced over time at 348 nm by RP-HPLC (Supelco Discove...

US Patent US8940719 (2015)


BindingDB Entry DOI: 10.7270/Q2VM4B07
More data for this
Ligand-Target Pair
alpha-2,3-sialyltransferase


(Rattus norvegicus (Rat))		BDBM142758
PNG
(US8940719, 7)
Show SMILES C[C@H](CCCO)C1CC[C@H]2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C24H42O2/c1-16(5-4-14-25)20-8-9-21-19-7-6-17-15-18(26)10-12-23(17,2)22(19)11-13-24(20,21)3/h16-22,25-26H,4-15H2,1-3H3/t16-,17-,18-,19?,20?,21+,22?,23+,24-/m1/s1
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Assay Description
Enzyme activity was determined by monitoring the quantity of sialylated disaccharide product produced over time at 348 nm by RP-HPLC (Supelco Discove...

US Patent US8940719 (2015)


BindingDB Entry DOI: 10.7270/Q2VM4B07
More data for this
Ligand-Target Pair