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Compile Data Set for Download or QSAR

Found 14 hits of ic50 data for polymerid = 50004542   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine palmitoyltransferase 2


(Homo sapiens (Human))
BDBM50461646
PNG
(CHEBI:582124 | MYRIOCIN | Myriocin)
Show SMILES CCCCCCC(=O)CCCCCC\C=C\C[C@@H](O)[C@H](O)[C@@](N)(CO)C(O)=O
Show InChI InChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m1/s1
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n/an/a 0.130n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...


Bioorg Med Chem 26: 2452-2465 (2018)

More data for this
Ligand-Target Pair
Serine palmitoyltransferase 2


(Homo sapiens (Human))
BDBM50461644
PNG
(CHEMBL4228416)
Show SMILES COc1ccc(cc1OC)C(=O)N1CC[C@@H](NC(=O)c2ccccc2Cl)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C27H27ClN2O4/c1-33-24-13-12-19(16-25(24)34-2)27(32)30-15-14-23(21(17-30)18-8-4-3-5-9-18)29-26(31)20-10-6-7-11-22(20)28/h3-13,16,21,23H,14-15,17H2,1-2H3,(H,29,31)/t21-,23-/m1/s1
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n/an/a 0.360n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...


Bioorg Med Chem 26: 2452-2465 (2018)

More data for this
Ligand-Target Pair
Serine palmitoyltransferase 2


(Homo sapiens (Human))
BDBM50461649
PNG
(CHEMBL4225519)
Show SMILES COc1cc(cnc1OC)C(=O)N1CC[C@H](NC(=O)c2ccccc2OC(F)(F)F)c2c1cnn2C(C)C
Show InChI InChI=1S/C25H26F3N5O5/c1-14(2)33-21-17(31-22(34)16-7-5-6-8-19(16)38-25(26,27)28)9-10-32(18(21)13-30-33)24(35)15-11-20(36-3)23(37-4)29-12-15/h5-8,11-14,17H,9-10H2,1-4H3,(H,31,34)/t17-/m0/s1
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n/an/a 0.540n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...


Bioorg Med Chem 26: 2452-2465 (2018)

More data for this
Ligand-Target Pair
Serine palmitoyltransferase 2


(Homo sapiens (Human))
BDBM50461645
PNG
(CHEMBL4228472)
Show SMILES Cn1nc(cc1C(=O)N[C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(Cl)c2nccnc2c1)C(F)(F)F
Show InChI InChI=1S/C26H22ClF3N6O2/c1-35-21(13-22(34-35)26(28,29)30)24(37)33-19-7-10-36(14-17(19)15-5-3-2-4-6-15)25(38)16-11-18(27)23-20(12-16)31-8-9-32-23/h2-6,8-9,11-13,17,19H,7,10,14H2,1H3,(H,33,37)/t17-,19-/m1/s1
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n/an/a 0.710n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...


Bioorg Med Chem 26: 2452-2465 (2018)

More data for this
Ligand-Target Pair
Serine palmitoyltransferase 2


(Homo sapiens (Human))
BDBM50461643
PNG
(CHEMBL4225764)
Show SMILES COc1ccc(cc1OC)C(=O)N1CCC(NC(=O)c2ccccc2Cl)C(C1)c1ccccc1
Show InChI InChI=1S/C27H27ClN2O4/c1-33-24-13-12-19(16-25(24)34-2)27(32)30-15-14-23(21(17-30)18-8-4-3-5-9-18)29-26(31)20-10-6-7-11-22(20)28/h3-13,16,21,23H,14-15,17H2,1-2H3,(H,29,31)
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n/an/a 1.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...


Bioorg Med Chem 26: 2452-2465 (2018)

More data for this
Ligand-Target Pair
Serine palmitoyltransferase 2


(Homo sapiens (Human))
BDBM50461647
PNG
(CHEMBL4225462)
Show SMILES COc1cc(cnc1OC)C(=O)N1CCC(NC(=O)c2ccccc2OC(F)(F)F)c2c1cnn2C(C)C
Show InChI InChI=1S/C25H26F3N5O5/c1-14(2)33-21-17(31-22(34)16-7-5-6-8-19(16)38-25(26,27)28)9-10-32(18(21)13-30-33)24(35)15-11-20(36-3)23(37-4)29-12-15/h5-8,11-14,17H,9-10H2,1-4H3,(H,31,34)
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n/an/a 1.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...


Bioorg Med Chem 26: 2452-2465 (2018)

More data for this
Ligand-Target Pair
Serine palmitoyltransferase 2


(Homo sapiens (Human))
BDBM50461639
PNG
(CHEMBL4229253)
Show SMILES COc1ccc(cc1OC)C(=O)N1CC[C@@H](NC(=O)c2ccccc2Cl)[C@@H](C1)c1ccccc1
Show InChI InChI=1S/C27H27ClN2O4/c1-33-24-13-12-19(16-25(24)34-2)27(32)30-15-14-23(21(17-30)18-8-4-3-5-9-18)29-26(31)20-10-6-7-11-22(20)28/h3-13,16,21,23H,14-15,17H2,1-2H3,(H,29,31)/t21-,23+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...


Bioorg Med Chem 26: 2452-2465 (2018)

More data for this
Ligand-Target Pair
Serine palmitoyltransferase 2


(Homo sapiens (Human))
BDBM50461641
PNG
(CHEMBL4225192)
Show SMILES COc1ccc(cc1OC)C(=O)N1CCC(NC(=O)c2ccccc2Cl)c2ccc(Cl)cc12
Show InChI InChI=1S/C25H22Cl2N2O4/c1-32-22-10-7-15(13-23(22)33-2)25(31)29-12-11-20(18-9-8-16(26)14-21(18)29)28-24(30)17-5-3-4-6-19(17)27/h3-10,13-14,20H,11-12H2,1-2H3,(H,28,30)
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n/an/a 5.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...


Bioorg Med Chem 26: 2452-2465 (2018)

More data for this
Ligand-Target Pair
Serine palmitoyltransferase 2


(Homo sapiens (Human))
BDBM50461638
PNG
(CHEMBL4226297)
Show SMILES COc1ccc(cc1OC)C(=O)N1CCC(NC(=O)c2ccccc2Cl)c2c1cnn2C
Show InChI InChI=1S/C23H23ClN4O4/c1-27-21-17(26-22(29)15-6-4-5-7-16(15)24)10-11-28(18(21)13-25-27)23(30)14-8-9-19(31-2)20(12-14)32-3/h4-9,12-13,17H,10-11H2,1-3H3,(H,26,29)
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n/an/a 7.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...


Bioorg Med Chem 26: 2452-2465 (2018)

More data for this
Ligand-Target Pair
Serine palmitoyltransferase 2


(Homo sapiens (Human))
BDBM50325998
PNG
((S)-2-((S,E)-1-((S)-1-carboxy-2-(4-(3-methylbut-2-...)
Show SMILES CCCCCCCC(=O)CCCCCC\C=C\[C@H](C(=O)N[C@@H](Cc1ccc(OCC=C(C)C)cc1)C(O)=O)[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1/C36H53NO10/c1-4-5-6-9-12-15-28(38)16-13-10-7-8-11-14-17-30(36(46,35(44)45)25-32(39)40)33(41)37-31(34(42)43)24-27-18-20-29(21-19-27)47-23-22-26(2)3/h14,17-22,30-31,46H,4-13,15-16,23-25H2,1-3H3,(H,37,41)(H,39,40)(H,42,43)(H,44,45)/b17-14+/t30-,31+,36+/s2
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PC cid
PC sid
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n/an/a 10n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPT2 activity in LCB2 transfected human HEK293 cells


Nat Chem Biol 1: 333-7 (2006)


Article DOI: 10.1038/nchembio742
BindingDB Entry DOI: 10.7270/Q2MW2HC2
More data for this
Ligand-Target Pair
Serine palmitoyltransferase 2


(Homo sapiens (Human))
BDBM50461650
PNG
(CHEMBL4228993)
Show SMILES COc1ccc(cc1OC)C(=O)N1CC[C@H](NC(=O)c2ccccc2Cl)[C@@H](C1)c1ccccc1
Show InChI InChI=1S/C27H27ClN2O4/c1-33-24-13-12-19(16-25(24)34-2)27(32)30-15-14-23(21(17-30)18-8-4-3-5-9-18)29-26(31)20-10-6-7-11-22(20)28/h3-13,16,21,23H,14-15,17H2,1-2H3,(H,29,31)/t21-,23-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...


Bioorg Med Chem 26: 2452-2465 (2018)

More data for this
Ligand-Target Pair
Serine palmitoyltransferase 2


(Homo sapiens (Human))
BDBM50461640
PNG
(CHEMBL4226045)
Show SMILES COc1ccc(cc1OC)C(=O)N1CCC(Nc2ccc(Cl)cc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C24H22Cl2N2O3/c1-30-22-10-3-15(13-23(22)31-2)24(29)28-12-11-20(19-9-6-17(26)14-21(19)28)27-18-7-4-16(25)5-8-18/h3-10,13-14,20,27H,11-12H2,1-2H3
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n/an/a 650n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...


Bioorg Med Chem 26: 2452-2465 (2018)

More data for this
Ligand-Target Pair
Serine palmitoyltransferase 2


(Homo sapiens (Human))
BDBM50461642
PNG
(CHEMBL4229268)
Show SMILES COc1cc(cnc1OC)C(=O)N1CC[C@@H](NC(=O)c2ccccc2OC(F)(F)F)c2c1cnn2C(C)C
Show InChI InChI=1S/C25H26F3N5O5/c1-14(2)33-21-17(31-22(34)16-7-5-6-8-19(16)38-25(26,27)28)9-10-32(18(21)13-30-33)24(35)15-11-20(36-3)23(37-4)29-12-15/h5-8,11-14,17H,9-10H2,1-4H3,(H,31,34)/t17-/m1/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...


Bioorg Med Chem 26: 2452-2465 (2018)

More data for this
Ligand-Target Pair
Serine palmitoyltransferase 2


(Homo sapiens (Human))
BDBM50461648
PNG
(CHEMBL4227637)
Show SMILES COc1ccc(cc1OC)C(=O)N1CC[C@H](NC(=O)c2ccccc2Cl)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C27H27ClN2O4/c1-33-24-13-12-19(16-25(24)34-2)27(32)30-15-14-23(21(17-30)18-8-4-3-5-9-18)29-26(31)20-10-6-7-11-22(20)28/h3-13,16,21,23H,14-15,17H2,1-2H3,(H,29,31)/t21-,23+/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...


Bioorg Med Chem 26: 2452-2465 (2018)

More data for this
Ligand-Target Pair