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Compile Data Set for Download or QSAR

Found 520 hits Enz. Inhib. hit(s) with all data for entry = 1166   
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
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311622
PNG
(Ex. Cpd. 59)
Show SMILES CSCc1ccc(NC(=O)c2c(Br)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C19H20BrN5OS/c1-19(7-8-19)25-15(20)13(14-16(21)22-10-23-17(14)25)18(26)24-12-5-3-11(4-6-12)9-27-2/h3-6,10H,7-9H2,1-2H3,(H,24,26)(H2,21,22,23)
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n/an/a 0.100n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311679
PNG
(Ex. Cpd. 131)
Show SMILES COCc1ccc(NC(=O)c2c(C#CC3(O)CCCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H29N5O3/c1-25(13-14-25)31-19(9-12-26(33)10-3-4-11-26)20(21-22(27)28-16-29-23(21)31)24(32)30-18-7-5-17(6-8-18)15-34-2/h5-8,16,33H,3-4,10-11,13-15H2,1-2H3,(H,30,32)(H2,27,28,29)
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n/an/a 0.100n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311705
PNG
(Ex. Cpd. 157)
Show SMILES CCC(O)CC#Cc1c(C(=O)Nc2ccc(COC)cc2)c2c(N)ncnc2n1C1(C)CC1
Show InChI InChI=1S/C25H29N5O3/c1-4-18(31)6-5-7-19-20(24(32)29-17-10-8-16(9-11-17)14-33-3)21-22(26)27-15-28-23(21)30(19)25(2)12-13-25/h8-11,15,18,31H,4,6,12-14H2,1-3H3,(H,29,32)(H2,26,27,28)
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n/an/a 0.100n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311639
PNG
(Ex. Cpd. 91)
Show SMILES COCc1ccc(NC(=O)c2c(C#Cc3cnc4cccnn34)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C27H24N8O2/c1-27(11-12-27)34-20(10-9-19-14-29-21-4-3-13-32-35(19)21)22(23-24(28)30-16-31-25(23)34)26(36)33-18-7-5-17(6-8-18)15-37-2/h3-8,13-14,16H,11-12,15H2,1-2H3,(H,33,36)(H2,28,30,31)
PDB
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n/an/a 0.100n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311673
PNG
(Ex. Cpd. 125)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCC3(O)COC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C25H27N5O4/c1-24(10-11-24)30-18(4-3-9-25(32)13-34-14-25)19(20-21(26)27-15-28-22(20)30)23(31)29-17-7-5-16(6-8-17)12-33-2/h5-8,15,32H,9-14H2,1-2H3,(H,29,31)(H2,26,27,28)
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n/an/a 0.200n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311691
PNG
(Ex. Cpd. 143)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCC3(O)CCOCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C27H31N5O4/c1-26(10-11-26)32-20(4-3-9-27(34)12-14-36-15-13-27)21(22-23(28)29-17-30-24(22)32)25(33)31-19-7-5-18(6-8-19)16-35-2/h5-8,17,34H,9-16H2,1-2H3,(H,31,33)(H2,28,29,30)
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n/an/a 0.200n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311699
PNG
(Ex. Cpd. 151)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCSCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H30N6O2S/c1-26(9-10-26)32-20(4-3-11-31-12-14-35-15-13-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-7-5-18(6-8-19)16-34-2/h5-8,17H,9-16H2,1-2H3,(H,30,33)(H2,27,28,29)
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n/an/a 0.200n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311700
PNG
(Ex. Cpd. 152)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCC3CCOCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C27H31N5O3/c1-27(12-13-27)32-21(5-3-4-18-10-14-35-15-11-18)22(23-24(28)29-17-30-25(23)32)26(33)31-20-8-6-19(7-9-20)16-34-2/h6-9,17-18H,4,10-16H2,1-2H3,(H,31,33)(H2,28,29,30)
PDB
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n/an/a 0.200n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311703
PNG
(Ex. Cpd. 155)
Show SMILES COCc1ccc(NC(=O)c2c(C#Cc3ccc(N)nc3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H25N7O2/c1-26(11-12-26)33-19(9-5-16-6-10-20(27)29-13-16)21(22-23(28)30-15-31-24(22)33)25(34)32-18-7-3-17(4-8-18)14-35-2/h3-4,6-8,10,13,15H,11-12,14H2,1-2H3,(H2,27,29)(H,32,34)(H2,28,30,31)
PDB
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n/an/a 0.200n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311704
PNG
(Ex. Cpd. 156)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCC3NC(=O)NC3=O)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C25H25N7O4/c1-25(10-11-25)32-17(5-3-4-16-22(33)31-24(35)30-16)18(19-20(26)27-13-28-21(19)32)23(34)29-15-8-6-14(7-9-15)12-36-2/h6-9,13,16H,4,10-12H2,1-2H3,(H,29,34)(H2,26,27,28)(H2,30,31,33,35)
PDB
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n/an/a 0.200n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311707
PNG
(Ex. Cpd. 159)
Show SMILES COCc1ccc(NC(=O)c2c(C#Cc3cnc4ccoc4c3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C28H24N6O3/c1-28(10-11-28)34-21(8-5-18-13-22-20(30-14-18)9-12-37-22)23(24-25(29)31-16-32-26(24)34)27(35)33-19-6-3-17(4-7-19)15-36-2/h3-4,6-7,9,12-14,16H,10-11,15H2,1-2H3,(H,33,35)(H2,29,31,32)
PDB
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n/an/a 0.200n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311708
PNG
(Ex. Cpd. 160)
Show SMILES COCc1ccc(NC(=O)c2c(C#Cc3cn[nH]c3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C24H23N7O2/c1-24(9-10-24)31-18(8-5-16-11-28-29-12-16)19(20-21(25)26-14-27-22(20)31)23(32)30-17-6-3-15(4-7-17)13-33-2/h3-4,6-7,11-12,14H,9-10,13H2,1-2H3,(H,28,29)(H,30,32)(H2,25,26,27)
PDB
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n/an/a 0.200n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311717
PNG
(Ex. Cpd. 169)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCn3cccc3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H26N6O2/c1-26(11-12-26)32-20(6-5-15-31-13-3-4-14-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-9-7-18(8-10-19)16-34-2/h3-4,7-10,13-14,17H,11-12,15-16H2,1-2H3,(H,30,33)(H2,27,28,29)
PDB
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n/an/a 0.200n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311734
PNG
(Ex. Cpd. 186)
Show SMILES COCc1ccc(NC(=O)c2c(C#Cc3ccncc3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H24N6O2/c1-26(11-12-26)32-20(8-5-17-9-13-28-14-10-17)21(22-23(27)29-16-30-24(22)32)25(33)31-19-6-3-18(4-7-19)15-34-2/h3-4,6-7,9-10,13-14,16H,11-12,15H2,1-2H3,(H,31,33)(H2,27,29,30)
PDB
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n/an/a 0.200n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311736
PNG
(Ex. Cpd. 188)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCC(C)O)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C24H27N5O3/c1-15(30)5-4-6-18-19(23(31)28-17-9-7-16(8-10-17)13-32-3)20-21(25)26-14-27-22(20)29(18)24(2)11-12-24/h7-10,14-15,30H,5,11-13H2,1-3H3,(H,28,31)(H2,25,26,27)
PDB
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n/an/a 0.200n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311751
PNG
(Ex. Cpd. 205)
Show SMILES COCc1ccc(NC(=O)c2c(C#CC3CCOCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1F
Show InChI InChI=1S/C26H28FN5O3/c1-26(9-10-26)32-20(6-3-16-7-11-35-12-8-16)21(22-23(28)29-15-30-24(22)32)25(33)31-18-5-4-17(14-34-2)19(27)13-18/h4-5,13,15-16H,7-12,14H2,1-2H3,(H,31,33)(H2,28,29,30)
PDB
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n/an/a 0.200n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311600
PNG
(Ex. Cpd. 37)
Show SMILES CSCc1ccc(NC(=O)c2cn(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C19H21N5OS/c1-19(7-8-19)24-9-14(15-16(20)21-11-22-17(15)24)18(25)23-13-5-3-12(4-6-13)10-26-2/h3-6,9,11H,7-8,10H2,1-2H3,(H,23,25)(H2,20,21,22)
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n/an/a 0.200n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311633
PNG
(Ex. Cpd. 85)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCOCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H30N6O3/c1-26(9-10-26)32-20(4-3-11-31-12-14-35-15-13-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-7-5-18(6-8-19)16-34-2/h5-8,17H,9-16H2,1-2H3,(H,30,33)(H2,27,28,29)
PDB
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n/an/a 0.200n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311634
PNG
(Ex. Cpd. 86)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCC(C)(C)O)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C25H29N5O3/c1-24(2,32)11-5-6-18-19(23(31)29-17-9-7-16(8-10-17)14-33-4)20-21(26)27-15-28-22(20)30(18)25(3)12-13-25/h7-10,15,32H,11-14H2,1-4H3,(H,29,31)(H2,26,27,28)
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n/an/a 0.200n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311635
PNG
(Ex. Cpd. 87)
Show SMILES COCc1ccc(NC(=O)c2c(C#CC3CCOCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H29N5O3/c1-26(11-12-26)31-20(8-5-17-9-13-34-14-10-17)21(22-23(27)28-16-29-24(22)31)25(32)30-19-6-3-18(4-7-19)15-33-2/h3-4,6-7,16-17H,9-15H2,1-2H3,(H,30,32)(H2,27,28,29)
PDB
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n/an/a 0.200n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311636
PNG
(Ex. Cpd. 88)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H30N6O2/c1-26(11-12-26)32-20(6-5-15-31-13-3-4-14-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-9-7-18(8-10-19)16-34-2/h7-10,17H,3-4,11-16H2,1-2H3,(H,30,33)(H2,27,28,29)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311660
PNG
(Ex. Cpd. 112)
Show SMILES COCc1ccc(NC(=O)c2c(C#CC3CCC(=O)CC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C27H29N5O3/c1-27(13-14-27)32-21(12-7-17-5-10-20(33)11-6-17)22(23-24(28)29-16-30-25(23)32)26(34)31-19-8-3-18(4-9-19)15-35-2/h3-4,8-9,16-17H,5-6,10-11,13-15H2,1-2H3,(H,31,34)(H2,28,29,30)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311653
PNG
(Ex. Cpd. 105)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCCCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C27H32N6O2/c1-27(12-13-27)33-21(7-6-16-32-14-4-3-5-15-32)22(23-24(28)29-18-30-25(23)33)26(34)31-20-10-8-19(9-11-20)17-35-2/h8-11,18H,3-5,12-17H2,1-2H3,(H,31,34)(H2,28,29,30)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311652
PNG
(Ex. Cpd. 104)
Show SMILES COCc1ccc(NC(=O)c2c(C#CC(O)C3CC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C25H27N5O3/c1-25(11-12-25)30-18(9-10-19(31)16-5-6-16)20(21-22(26)27-14-28-23(21)30)24(32)29-17-7-3-15(4-8-17)13-33-2/h3-4,7-8,14,16,19,31H,5-6,11-13H2,1-2H3,(H,29,32)(H2,26,27,28)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311643
PNG
(Ex. Cpd. 95)
Show SMILES COCc1ccc(NC(=O)c2c(C#CC)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C22H23N5O2/c1-4-5-16-17(21(28)26-15-8-6-14(7-9-15)12-29-3)18-19(23)24-13-25-20(18)27(16)22(2)10-11-22/h6-9,13H,10-12H2,1-3H3,(H,26,28)(H2,23,24,25)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311651
PNG
(Ex. Cpd. 103)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCC3(O)CCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H29N5O3/c1-25(13-14-25)31-19(5-3-10-26(33)11-4-12-26)20(21-22(27)28-16-29-23(21)31)24(32)30-18-8-6-17(7-9-18)15-34-2/h6-9,16,33H,4,10-15H2,1-2H3,(H,30,32)(H2,27,28,29)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311641
PNG
(Ex. Cpd. 93)
Show SMILES COCc1ccc(NC(=O)c2c(C#Cc3cncn3C)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C25H25N7O2/c1-25(10-11-25)32-19(9-8-18-12-27-15-31(18)2)20(21-22(26)28-14-29-23(21)32)24(33)30-17-6-4-16(5-7-17)13-34-3/h4-7,12,14-15H,10-11,13H2,1-3H3,(H,30,33)(H2,26,28,29)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311642
PNG
(Ex. Cpd. 94)
Show SMILES COCc1ccc(NC(=O)c2c(C#Cc3cccnc3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H24N6O2/c1-26(11-12-26)32-20(10-7-17-4-3-13-28-14-17)21(22-23(27)29-16-30-24(22)32)25(33)31-19-8-5-18(6-9-19)15-34-2/h3-6,8-9,13-14,16H,11-12,15H2,1-2H3,(H,31,33)(H2,27,29,30)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311658
PNG
(Ex. Cpd. 110)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCO)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C22H23N5O3/c1-22(9-10-22)27-16(4-3-11-28)17(18-19(23)24-13-25-20(18)27)21(29)26-15-7-5-14(6-8-15)12-30-2/h5-8,13,28H,9-12H2,1-2H3,(H,26,29)(H2,23,24,25)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM311717
PNG
(Ex. Cpd. 169)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCn3cccc3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H26N6O2/c1-26(11-12-26)32-20(6-5-15-31-13-3-4-14-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-9-7-18(8-10-19)16-34-2/h3-4,7-10,13-14,17H,11-12,15-16H2,1-2H3,(H,30,33)(H2,27,28,29)
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n/an/a 0.300n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET (V804L) (i.e., RET with V804L mutation) kinase acti...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311711
PNG
(Ex. Cpd. 163)
Show SMILES COCc1ccc(NC(=O)c2c(C#CC(C)(C)n3cccc3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C28H30N6O2/c1-27(2,33-15-5-6-16-33)12-11-21-22(26(35)32-20-9-7-19(8-10-20)17-36-4)23-24(29)30-18-31-25(23)34(21)28(3)13-14-28/h5-10,15-16,18H,13-14,17H2,1-4H3,(H,32,35)(H2,29,30,31)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311720
PNG
(Ex. Cpd. 172)
Show SMILES COCc1ccc(NC(=O)c2c(C#Cc3ccccn3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H24N6O2/c1-26(12-13-26)32-20(11-10-18-5-3-4-14-28-18)21(22-23(27)29-16-30-24(22)32)25(33)31-19-8-6-17(7-9-19)15-34-2/h3-9,14,16H,12-13,15H2,1-2H3,(H,31,33)(H2,27,29,30)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311730
PNG
(Ex. Cpd. 182)
Show SMILES COCc1ccc(NC(=O)c2c(C#Cc3cnn(C)c3C)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H27N7O2/c1-16-18(13-30-32(16)3)7-10-20-21(25(34)31-19-8-5-17(6-9-19)14-35-4)22-23(27)28-15-29-24(22)33(20)26(2)11-12-26/h5-6,8-9,13,15H,11-12,14H2,1-4H3,(H,31,34)(H2,27,28,29)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311731
PNG
(Ex. Cpd. 183)
Show SMILES COCc1ccc(NC(=O)c2c(C#CC3CCN(C)CC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C27H32N6O2/c1-27(12-13-27)33-21(9-6-18-10-14-32(2)15-11-18)22(23-24(28)29-17-30-25(23)33)26(34)31-20-7-4-19(5-8-20)16-35-3/h4-5,7-8,17-18H,10-16H2,1-3H3,(H,31,34)(H2,28,29,30)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311733
PNG
(Ex. Cpd. 185)
Show SMILES COCc1ccc(NC(=O)c2c(C#CC3(O)CCOCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H29N5O4/c1-25(9-10-25)31-19(7-8-26(33)11-13-35-14-12-26)20(21-22(27)28-16-29-23(21)31)24(32)30-18-5-3-17(4-6-18)15-34-2/h3-6,16,33H,9-15H2,1-2H3,(H,30,32)(H2,27,28,29)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311739
PNG
(Ex. Cpd. 191)
Show SMILES COCc1ccc(NC(=O)c2c(C#Cc3cnc[nH]3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C24H23N7O2/c1-24(9-10-24)31-18(8-7-17-11-26-13-27-17)19(20-21(25)28-14-29-22(20)31)23(32)30-16-5-3-15(4-6-16)12-33-2/h3-6,11,13-14H,9-10,12H2,1-2H3,(H,26,27)(H,30,32)(H2,25,28,29)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311741
PNG
(Ex. Cpd. 193)
Show SMILES COCc1ccc(NC(=O)c2c(C#Cc3cncs3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C24H22N6O2S/c1-24(9-10-24)30-18(8-7-17-11-26-14-33-17)19(20-21(25)27-13-28-22(20)30)23(31)29-16-5-3-15(4-6-16)12-32-2/h3-6,11,13-14H,9-10,12H2,1-2H3,(H,29,31)(H2,25,27,28)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311743
PNG
(Ex. Cpd. 195)
Show SMILES COCc1ccc(NC(=O)c2c(C#Cc3cncc(c3)C#N)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C27H23N7O2/c1-27(9-10-27)34-21(8-5-18-11-19(12-28)14-30-13-18)22(23-24(29)31-16-32-25(23)34)26(35)33-20-6-3-17(4-7-20)15-36-2/h3-4,6-7,11,13-14,16H,9-10,15H2,1-2H3,(H,33,35)(H2,29,31,32)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311746
PNG
(Ex. Cpd. 198)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCN(C)C)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C24H28N6O2/c1-24(11-12-24)30-18(6-5-13-29(2)3)19(20-21(25)26-15-27-22(20)30)23(31)28-17-9-7-16(8-10-17)14-32-4/h7-10,15H,11-14H2,1-4H3,(H,28,31)(H2,25,26,27)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311752
PNG
(Ex. Cpd. 206)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCOCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1F
Show InChI InChI=1S/C26H29FN6O3/c1-26(7-8-26)33-20(4-3-9-32-10-12-36-13-11-32)21(22-23(28)29-16-30-24(22)33)25(34)31-18-6-5-17(15-35-2)19(27)14-18/h5-6,14,16H,7-13,15H2,1-2H3,(H,31,34)(H2,28,29,30)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM311622
PNG
(Ex. Cpd. 59)
Show SMILES CSCc1ccc(NC(=O)c2c(Br)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C19H20BrN5OS/c1-19(7-8-19)25-15(20)13(14-16(21)22-10-23-17(14)25)18(26)24-12-5-3-11(4-6-12)9-27-2/h3-6,10H,7-9H2,1-2H3,(H,24,26)(H2,21,22,23)
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n/an/a 0.300n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET (V804L) (i.e., RET with V804L mutation) kinase acti...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM311634
PNG
(Ex. Cpd. 86)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCC(C)(C)O)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C25H29N5O3/c1-24(2,32)11-5-6-18-19(23(31)29-17-9-7-16(8-10-17)14-33-4)20-21(26)27-15-28-22(20)30(18)25(3)12-13-25/h7-10,15,32H,11-14H2,1-4H3,(H,29,31)(H2,26,27,28)
PDB

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PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET (V804L) (i.e., RET with V804L mutation) kinase acti...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM311639
PNG
(Ex. Cpd. 91)
Show SMILES COCc1ccc(NC(=O)c2c(C#Cc3cnc4cccnn34)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C27H24N8O2/c1-27(11-12-27)34-20(10-9-19-14-29-21-4-3-13-32-35(19)21)22(23-24(28)30-16-31-25(23)34)26(36)33-18-7-5-17(6-8-18)15-37-2/h3-8,13-14,16H,11-12,15H2,1-2H3,(H,33,36)(H2,28,30,31)
PDB

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PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET (V804L) (i.e., RET with V804L mutation) kinase acti...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM311643
PNG
(Ex. Cpd. 95)
Show SMILES COCc1ccc(NC(=O)c2c(C#CC)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C22H23N5O2/c1-4-5-16-17(21(28)26-15-8-6-14(7-9-15)12-29-3)18-19(23)24-13-25-20(18)27(16)22(2)10-11-22/h6-9,13H,10-12H2,1-3H3,(H,26,28)(H2,23,24,25)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET (V804L) (i.e., RET with V804L mutation) kinase acti...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM311651
PNG
(Ex. Cpd. 103)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCC3(O)CCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H29N5O3/c1-25(13-14-25)31-19(5-3-10-26(33)11-4-12-26)20(21-22(27)28-16-29-23(21)31)24(32)30-18-8-6-17(7-9-18)15-34-2/h6-9,16,33H,4,10-15H2,1-2H3,(H,30,32)(H2,27,28,29)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET (V804L) (i.e., RET with V804L mutation) kinase acti...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311586
PNG
(Ex. Cpd. 23)
Show SMILES CSCc1ccc(NC(=O)c2nn(c3ncnc(N)c23)C(C)(C)C)cc1
Show InChI InChI=1S/C18H22N6OS/c1-18(2,3)24-16-13(15(19)20-10-21-16)14(23-24)17(25)22-12-7-5-11(6-8-12)9-26-4/h5-8,10H,9H2,1-4H3,(H,22,25)(H2,19,20,21)
PDB
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US Patent
n/an/a 0.300n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311618
PNG
(Ex. Cpd. 55)
Show SMILES COCc1ccc(NC(=O)c2c(Br)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C19H20BrN5O2/c1-19(7-8-19)25-15(20)13(14-16(21)22-10-23-17(14)25)18(26)24-12-5-3-11(4-6-12)9-27-2/h3-6,10H,7-9H2,1-2H3,(H,24,26)(H2,21,22,23)
PDB
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PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311638
PNG
(Ex. Cpd. 90)
Show SMILES COCc1ccc(NC(=O)c2c(C#Cc3cnn(C)c3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C25H25N7O2/c1-25(10-11-25)32-19(9-6-17-12-29-31(2)13-17)20(21-22(26)27-15-28-23(21)32)24(33)30-18-7-4-16(5-8-18)14-34-3/h4-5,7-8,12-13,15H,10-11,14H2,1-3H3,(H,30,33)(H2,26,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM311699
PNG
(Ex. Cpd. 151)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCSCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H30N6O2S/c1-26(9-10-26)32-20(4-3-11-31-12-14-35-15-13-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-7-5-18(6-8-19)16-34-2/h5-8,17H,9-16H2,1-2H3,(H,30,33)(H2,27,28,29)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET (V804L) (i.e., RET with V804L mutation) kinase acti...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
RET kinase mutant (V804M)


(Homo sapiens (Human))
BDBM311699
PNG
(Ex. Cpd. 151)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCSCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C26H30N6O2S/c1-26(9-10-26)32-20(4-3-11-31-12-14-35-15-13-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-7-5-18(6-8-19)16-34-2/h5-8,17H,9-16H2,1-2H3,(H,30,33)(H2,27,28,29)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
RET (V804M) (i.e., RET with V804M mutation) kinase activity was measured using purified recombinant human RET (V804M) protein purchased from Eurofins...


US Patent US10155768 (2018)

More data for this
Ligand-Target Pair
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