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Patent code US10174040

Compile Data Set for Download or QSAR
Found 143 hits of Enzyme Inhibition Constant Data   
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
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320969
PNG
(4-Amino-5-[2-(4-amino-2,6-difluoro-phenyl)ethynyl]...)
Show SMILES Nc1cc(F)c(C#Cc2cn([C@@H]3O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)c(F)c1
Show InChI InChI=1S/C19H19F2N7O5S/c20-11-3-9(22)4-12(21)10(11)2-1-8-6-28(18-14(8)17(23)25-7-26-18)19-16(30)15(29)13(33-19)5-27-34(24,31)32/h3-4,6-7,13,15-16,19,27,29-30H,5,22H2,(H2,23,25,26)(H2,24,31,32)/t13-,15-,16-,19-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320974
PNG
(4-Amino-5-[2-[2,6-difluoro-4-(2-oxopyrrolidin-1-yl...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)N3CCCC3=O)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H23F2N7O6S/c24-14-6-12(31-5-1-2-17(31)33)7-15(25)13(14)4-3-11-9-32(22-18(11)21(26)28-10-29-22)23-20(35)19(34)16(38-23)8-30-39(27,36)37/h6-7,9-10,16,19-20,23,30,34-35H,1-2,5,8H2,(H2,26,28,29)(H2,27,36,37)/t16-,19-,20-,23-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320980
PNG
(4-Amino-5-[2-[2,6-difluoro-4-[(3R)-3-hydroxy-1-pip...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)N3CCC[C@@H](O)C3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C24H27F2N7O6S/c25-16-6-13(32-5-1-2-14(34)10-32)7-17(26)15(16)4-3-12-9-33(23-19(12)22(27)29-11-30-23)24-21(36)20(35)18(39-24)8-31-40(28,37)38/h6-7,9,11,14,18,20-21,24,31,34-36H,1-2,5,8,10H2,(H2,27,29,30)(H2,28,37,38)/t14-,18-,20-,21-,24-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321034
PNG
(4-Amino-7-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamo...)
Show SMILES CCS(=O)(=O)c1cc(cc(F)c1C#Cc1cn([C@@H]2C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12)N1CCCC1
Show InChI InChI=1S/C26H32FN7O6S2/c1-2-41(37,38)21-11-17(33-7-3-4-8-33)10-19(27)18(21)6-5-15-13-34(26-22(15)25(28)30-14-31-26)20-9-16(23(35)24(20)36)12-32-42(29,39)40/h10-11,13-14,16,20,23-24,32,35-36H,2-4,7-9,12H2,1H3,(H2,28,30,31)(H2,29,39,40)/t16-,20-,23-,24+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321049
PNG
(US10174040, Example 132 | [(2R,3S,4R,5R)-5-[4-Amin...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cccc3F)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H17F2N5O6S/c20-11-2-1-3-12(21)10(11)5-4-9-6-26(18-14(9)17(22)24-8-25-18)19-16(28)15(27)13(32-19)7-31-33(23,29)30/h1-3,6,8,13,15-16,19,27-28H,7H2,(H2,22,24,25)(H2,23,29,30)/t13-,15-,16-,19-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321008
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES CCS(=O)(=O)c1cc(cc(F)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12)N1CC[C@@H](F)C1
Show InChI InChI=1S/C25H29F2N7O7S2/c1-2-42(37,38)19-8-15(33-6-5-14(26)11-33)7-17(27)16(19)4-3-13-10-34(24-20(13)23(28)30-12-31-24)25-22(36)21(35)18(41-25)9-32-43(29,39)40/h7-8,10,12,14,18,21-22,25,32,35-36H,2,5-6,9,11H2,1H3,(H2,28,30,31)(H2,29,39,40)/t14-,18-,21-,22-,25-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321033
PNG
(4-Amino-7-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamo...)
Show SMILES COc1ccc(C#Cc2cn([C@@H]3C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)c(c1)S(C)(=O)=O
Show InChI InChI=1S/C22H26N6O7S2/c1-35-15-6-5-12(17(8-15)36(2,31)32)3-4-13-10-28(22-18(13)21(23)25-11-26-22)16-7-14(19(29)20(16)30)9-27-37(24,33)34/h5-6,8,10-11,14,16,19-20,27,29-30H,7,9H2,1-2H3,(H2,23,25,26)(H2,24,33,34)/t14-,16-,19-,20+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321046
PNG
(4-Amino-7-[(1R,4R,5S)-4,5-dihydroxy-3-[(sulfamoyla...)
Show SMILES CCOc1cccc(F)c1C#Cc1cn([C@@H]2C=C(CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C22H23FN6O5S/c1-2-34-17-5-3-4-15(23)14(17)7-6-12-10-29(22-18(12)21(24)26-11-27-22)16-8-13(19(30)20(16)31)9-28-35(25,32)33/h3-5,8,10-11,16,19-20,28,30-31H,2,9H2,1H3,(H2,24,26,27)(H2,25,32,33)/t16-,19-,20+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320968
PNG
(4-[4-[2-[4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)N3CCOCC3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H25F2N7O6S/c24-15-7-13(31-3-5-37-6-4-31)8-16(25)14(15)2-1-12-10-32(22-18(12)21(26)28-11-29-22)23-20(34)19(33)17(38-23)9-30-39(27,35)36/h7-8,10-11,17,19-20,23,30,33-34H,3-6,9H2,(H2,26,28,29)(H2,27,35,36)/t17-,19-,20-,23-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320991
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES CCOc1cccc(F)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C21H23FN6O6S/c1-2-33-14-5-3-4-13(22)12(14)7-6-11-9-28(20-16(11)19(23)25-10-26-20)21-18(30)17(29)15(34-21)8-27-35(24,31)32/h3-5,9-10,15,17-18,21,27,29-30H,2,8H2,1H3,(H2,23,25,26)(H2,24,31,32)/t15-,17-,18-,21-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320956
PNG
(4-Amino-5-[2-(2,6-difluorophenyl)ethynyl]-7-[(2R,3...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cccc3F)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H18F2N6O5S/c20-11-2-1-3-12(21)10(11)5-4-9-7-27(18-14(9)17(22)24-8-25-18)19-16(29)15(28)13(32-19)6-26-33(23,30)31/h1-3,7-8,13,15-16,19,26,28-29H,6H2,(H2,22,24,25)(H2,23,30,31)/t13-,15-,16-,19-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320994
PNG
(Methyl 4-[2-[4-amino-7-[(2R,3R,4S,5R)-3,4-dihydrox...)
Show SMILES COC(=O)c1cc(F)c(C#Cc2cn([C@@H]3O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)c(F)c1
Show InChI InChI=1S/C21H20F2N6O7S/c1-35-21(32)10-4-12(22)11(13(23)5-10)3-2-9-7-29(19-15(9)18(24)26-8-27-19)20-17(31)16(30)14(36-20)6-28-37(25,33)34/h4-5,7-8,14,16-17,20,28,30-31H,6H2,1H3,(H2,24,26,27)(H2,25,33,34)/t14-,16-,17-,20-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321007
PNG
(4-[4-[2-[4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)N3CCS(=O)(=O)CC3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H25F2N7O7S2/c24-15-7-13(31-3-5-40(35,36)6-4-31)8-16(25)14(15)2-1-12-10-32(22-18(12)21(26)28-11-29-22)23-20(34)19(33)17(39-23)9-30-41(27,37)38/h7-8,10-11,17,19-20,23,30,33-34H,3-6,9H2,(H2,26,28,29)(H2,27,37,38)/t17-,19-,20-,23-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320967
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES CS(=O)(=O)c1ccccc1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C20H22N6O7S2/c1-34(29,30)14-5-3-2-4-11(14)6-7-12-9-26(19-15(12)18(21)23-10-24-19)20-17(28)16(27)13(33-20)8-25-35(22,31)32/h2-5,9-10,13,16-17,20,25,27-28H,8H2,1H3,(H2,21,23,24)(H2,22,31,32)/t13-,16-,17-,20-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320979
PNG
(4-Amino-5-[2-[2,6-difluoro-4-(3-hydroxyazetidin-1-...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)N3CC(O)C3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H23F2N7O6S/c23-14-3-11(30-7-12(32)8-30)4-15(24)13(14)2-1-10-6-31(21-17(10)20(25)27-9-28-21)22-19(34)18(33)16(37-22)5-29-38(26,35)36/h3-4,6,9,12,16,18-19,22,29,32-34H,5,7-8H2,(H2,25,27,28)(H2,26,35,36)/t16-,18-,19-,22-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320981
PNG
(1-[4-[2-[4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)N3CCC(C3)C(O)=O)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C24H25F2N7O7S/c25-15-5-13(32-4-3-12(8-32)24(36)37)6-16(26)14(15)2-1-11-9-33(22-18(11)21(27)29-10-30-22)23-20(35)19(34)17(40-23)7-31-41(28,38)39/h5-6,9-10,12,17,19-20,23,31,34-35H,3-4,7-8H2,(H,36,37)(H2,27,29,30)(H2,28,38,39)/t12?,17-,19-,20-,23-/m1/s1
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n/an/a<3n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321048
PNG
(US10174040, Example 131 | [(2R,3S,4R,5R)-5-[4-amin...)
Show SMILES Nc1ncnc2n(cc(C#Cc3ccccc3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H19N5O6S/c20-17-14-12(7-6-11-4-2-1-3-5-11)8-24(18(14)23-10-22-17)19-16(26)15(25)13(30-19)9-29-31(21,27)28/h1-5,8,10,13,15-16,19,25-26H,9H2,(H2,20,22,23)(H2,21,27,28)/t13-,15-,16-,19-/m1/s1
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n/an/a<3n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321010
PNG
(2-[2-[4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(s...)
Show SMILES NC(=O)c1cccc(F)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C20H20FN7O6S/c21-12-3-1-2-11(18(23)31)10(12)5-4-9-7-28(19-14(9)17(22)25-8-26-19)20-16(30)15(29)13(34-20)6-27-35(24,32)33/h1-3,7-8,13,15-16,20,27,29-30H,6H2,(H2,23,31)(H2,22,25,26)(H2,24,32,33)/t13-,15-,16-,20-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321045
PNG
(4-Amino-5-[2-(2,6-difluorophenyl)ethynyl]-7-[(1R,4...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cccc3F)c12)[C@@H]1C=C(CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H18F2N6O4S/c21-13-2-1-3-14(22)12(13)5-4-10-8-28(20-16(10)19(23)25-9-26-20)15-6-11(17(29)18(15)30)7-27-33(24,31)32/h1-3,6,8-9,15,17-18,27,29-30H,7H2,(H2,23,25,26)(H2,24,31,32)/t15-,17-,18+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320978
PNG
(4-Amino-5-[2-[2,6-difluoro-4-(3-hydroxy-1-piperidy...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)N3CCCC(O)C3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C24H27F2N7O6S/c25-16-6-13(32-5-1-2-14(34)10-32)7-17(26)15(16)4-3-12-9-33(23-19(12)22(27)29-11-30-23)24-21(36)20(35)18(39-24)8-31-40(28,37)38/h6-7,9,11,14,18,20-21,24,31,34-36H,1-2,5,8,10H2,(H2,27,29,30)(H2,28,37,38)/t14?,18-,20-,21-,24-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320988
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES COc1cccc(F)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C20H21FN6O6S/c1-32-13-4-2-3-12(21)11(13)6-5-10-8-27(19-15(10)18(22)24-9-25-19)20-17(29)16(28)14(33-20)7-26-34(23,30)31/h2-4,8-9,14,16-17,20,26,28-29H,7H2,1H3,(H2,22,24,25)(H2,23,30,31)/t14-,16-,17-,20-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320997
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cccc3OCC(F)(F)F)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H20F4N6O6S/c22-12-2-1-3-13(36-8-21(23,24)25)11(12)5-4-10-7-31(19-15(10)18(26)28-9-29-19)20-17(33)16(32)14(37-20)6-30-38(27,34)35/h1-3,7,9,14,16-17,20,30,32-33H,6,8H2,(H2,26,28,29)(H2,27,34,35)/t14-,16-,17-,20-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321035
PNG
(4-Amino-5-[2-[2,6-difluoro-4-[(3R)-3-fluoropyrroli...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)N3CC[C@@H](F)C3)c12)[C@@H]1C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C24H26F3N7O4S/c25-14-3-4-33(10-14)15-6-17(26)16(18(27)7-15)2-1-12-9-34(24-20(12)23(28)30-11-31-24)19-5-13(21(35)22(19)36)8-32-39(29,37)38/h6-7,9,11,13-14,19,21-22,32,35-36H,3-5,8,10H2,(H2,28,30,31)(H2,29,37,38)/t13-,14-,19-,21-,22+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321047
PNG
(4-Amino-7-[(1R,4R,5S)-4,5-dihydroxy-3-[(sulfamoyla...)
Show SMILES CSc1cccc(F)c1C#Cc1cn([C@@H]2C=C(CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C21H21FN6O4S2/c1-33-16-4-2-3-14(22)13(16)6-5-11-9-28(21-17(11)20(23)25-10-26-21)15-7-12(18(29)19(15)30)8-27-34(24,31)32/h2-4,7,9-10,15,18-19,27,29-30H,8H2,1H3,(H2,23,25,26)(H2,24,31,32)/t15-,18-,19+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320976
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES CCOc1cc(F)cc(F)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C21H22F2N6O6S/c1-2-34-14-6-11(22)5-13(23)12(14)4-3-10-8-29(20-16(10)19(24)26-9-27-20)21-18(31)17(30)15(35-21)7-28-36(25,32)33/h5-6,8-9,15,17-18,21,28,30-31H,2,7H2,1H3,(H2,24,26,27)(H2,25,32,33)/t15-,17-,18-,21-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321039
PNG
(4-Amino-5-[2-[2,6-difluoro-4-(4-hydroxy-1-piperidy...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)N3CCC(O)CC3)c12)[C@@H]1C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C25H29F2N7O5S/c26-18-8-15(33-5-3-16(35)4-6-33)9-19(27)17(18)2-1-13-11-34(25-21(13)24(28)30-12-31-25)20-7-14(22(36)23(20)37)10-32-40(29,38)39/h8-9,11-12,14,16,20,22-23,32,35-37H,3-7,10H2,(H2,28,30,31)(H2,29,38,39)/t14-,20-,22-,23+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320982
PNG
(4-Amino-5-[2-[2,6-difluoro-4-(4-oxo-1-piperidyl)ph...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)N3CCC(=O)CC3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C24H25F2N7O6S/c25-16-7-13(32-5-3-14(34)4-6-32)8-17(26)15(16)2-1-12-10-33(23-19(12)22(27)29-11-30-23)24-21(36)20(35)18(39-24)9-31-40(28,37)38/h7-8,10-11,18,20-21,24,31,35-36H,3-6,9H2,(H2,27,29,30)(H2,28,37,38)/t18-,20-,21-,24-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321040
PNG
(4-Amino-5-[2-[2,6-difluoro-4-[(3R)-3-hydroxypyrrol...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)N3CC[C@@H](O)C3)c12)[C@@H]1C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C24H27F2N7O5S/c25-17-6-14(32-4-3-15(34)10-32)7-18(26)16(17)2-1-12-9-33(24-20(12)23(27)29-11-30-24)19-5-13(21(35)22(19)36)8-31-39(28,37)38/h6-7,9,11,13,15,19,21-22,31,34-36H,3-5,8,10H2,(H2,27,29,30)(H2,28,37,38)/t13-,15-,19-,21-,22+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321037
PNG
(4-Amino-7-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamo...)
Show SMILES Nc1ncnc2n(cc(C#Cc3cccc4CCS(=O)(=O)c34)c12)[C@@H]1C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H24N6O6S2/c23-21-17-14(5-4-12-2-1-3-13-6-7-35(31,32)20(12)13)10-28(22(17)26-11-25-21)16-8-15(18(29)19(16)30)9-27-36(24,33)34/h1-3,10-11,15-16,18-19,27,29-30H,6-9H2,(H2,23,25,26)(H2,24,33,34)/t15-,16-,18-,19+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321006
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES CCS(=O)(=O)c1cc(cc(F)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12)N1CC[C@@H](O)C1
Show InChI InChI=1S/C25H30FN7O8S2/c1-2-42(37,38)19-8-14(32-6-5-15(34)11-32)7-17(26)16(19)4-3-13-10-33(24-20(13)23(27)29-12-30-24)25-22(36)21(35)18(41-25)9-31-43(28,39)40/h7-8,10,12,15,18,21-22,25,31,34-36H,2,5-6,9,11H2,1H3,(H2,27,29,30)(H2,28,39,40)/t15-,18-,21-,22-,25-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320990
PNG
(4-Amino-5-[2-(2,6-difluoro-4-hydroxy-phenyl)ethyny...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(O)cc3F)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H18F2N6O6S/c20-11-3-9(28)4-12(21)10(11)2-1-8-6-27(18-14(8)17(22)24-7-25-18)19-16(30)15(29)13(33-19)5-26-34(23,31)32/h3-4,6-7,13,15-16,19,26,28-30H,5H2,(H2,22,24,25)(H2,23,31,32)/t13-,15-,16-,19-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320970
PNG
(4-Amino-5-[2-[2,6-difluoro-4-(methylamino)phenyl]e...)
Show SMILES CNc1cc(F)c(C#Cc2cn([C@@H]3O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)c(F)c1
Show InChI InChI=1S/C20H21F2N7O5S/c1-25-10-4-12(21)11(13(22)5-10)3-2-9-7-29(19-15(9)18(23)26-8-27-19)20-17(31)16(30)14(34-20)6-28-35(24,32)33/h4-5,7-8,14,16-17,20,25,28,30-31H,6H2,1H3,(H2,23,26,27)(H2,24,32,33)/t14-,16-,17-,20-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321009
PNG
(4-Amino-5-[2-(5-benzyloxypyrimidin-2-yl)ethynyl]-7...)
Show SMILES Nc1ncnc2n(cc(C#Cc3ncc(OCc4ccccc4)cn3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C24H24N8O6S/c25-22-19-15(6-7-18-27-8-16(9-28-18)37-12-14-4-2-1-3-5-14)11-32(23(19)30-13-29-22)24-21(34)20(33)17(38-24)10-31-39(26,35)36/h1-5,8-9,11,13,17,20-21,24,31,33-34H,10,12H2,(H2,25,29,30)(H2,26,35,36)/t17-,20-,21-,24-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321036
PNG
(4-Amino-5-[2-[2,6-difluoro-4-[(3S)-3-fluoropyrroli...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)N3CC[C@H](F)C3)c12)[C@@H]1C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C24H26F3N7O4S/c25-14-3-4-33(10-14)15-6-17(26)16(18(27)7-15)2-1-12-9-34(24-20(12)23(28)30-11-31-24)19-5-13(21(35)22(19)36)8-32-39(29,37)38/h6-7,9,11,13-14,19,21-22,32,35-36H,3-5,8,10H2,(H2,28,30,31)(H2,29,37,38)/t13-,14+,19-,21-,22+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320992
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES CC(C)Oc1cccc(F)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C22H25FN6O6S/c1-11(2)34-15-5-3-4-14(23)13(15)7-6-12-9-29(21-17(12)20(24)26-10-27-21)22-19(31)18(30)16(35-22)8-28-36(25,32)33/h3-5,9-11,16,18-19,22,28,30-31H,8H2,1-2H3,(H2,24,26,27)(H2,25,32,33)/t16-,18-,19-,22-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321016
PNG
(4-Amino-5-[2-[2-(cyclopropylmethoxy)-6-fluoro-phen...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cccc3OCC3CC3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H25FN6O6S/c24-15-2-1-3-16(35-10-12-4-5-12)14(15)7-6-13-9-30(22-18(13)21(25)27-11-28-22)23-20(32)19(31)17(36-23)8-29-37(26,33)34/h1-3,9,11-12,17,19-20,23,29,31-32H,4-5,8,10H2,(H2,25,27,28)(H2,26,33,34)/t17-,19-,20-,23-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320962
PNG
(8-[2-[4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(s...)
Show SMILES Nc1ncnc2n(cc(C#Cc3cccc4cccnc34)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H21N7O5S/c23-20-16-14(7-6-13-4-1-3-12-5-2-8-25-17(12)13)10-29(21(16)27-11-26-20)22-19(31)18(30)15(34-22)9-28-35(24,32)33/h1-5,8,10-11,15,18-19,22,28,30-31H,9H2,(H2,23,26,27)(H2,24,32,33)/t15-,18-,19-,22-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321019
PNG
(2-[2-[4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(s...)
Show SMILES Nc1ncnc2n(cc(C#Cc3ccccc3S(N)(=O)=O)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H21N7O7S2/c20-17-14-11(6-5-10-3-1-2-4-13(10)34(21,29)30)8-26(18(14)24-9-23-17)19-16(28)15(27)12(33-19)7-25-35(22,31)32/h1-4,8-9,12,15-16,19,25,27-28H,7H2,(H2,20,23,24)(H2,21,29,30)(H2,22,31,32)/t12-,15-,16-,19-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321012
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES COc1cnc(OC)c(F)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C20H22FN7O7S/c1-33-11-5-24-19(34-2)14(21)10(11)4-3-9-7-28(18-13(9)17(22)25-8-26-18)20-16(30)15(29)12(35-20)6-27-36(23,31)32/h5,7-8,12,15-16,20,27,29-30H,6H2,1-2H3,(H2,22,25,26)(H2,23,31,32)/t12-,15-,16-,20-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320993
PNG
(4-Amino-5-[2-(4-cyano-2,6-difluoro-phenyl)ethynyl]...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)C#N)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H17F2N7O5S/c21-12-3-9(5-23)4-13(22)11(12)2-1-10-7-29(19-15(10)18(24)26-8-27-19)20-17(31)16(30)14(34-20)6-28-35(25,32)33/h3-4,7-8,14,16-17,20,28,30-31H,6H2,(H2,24,26,27)(H2,25,32,33)/t14-,16-,17-,20-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321041
PNG
(4-Amino-5-[2-[2,6-difluoro-4-[(3S)-3-hydroxypyrrol...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)N3CC[C@H](O)C3)c12)[C@@H]1C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C24H27F2N7O5S/c25-17-6-14(32-4-3-15(34)10-32)7-18(26)16(17)2-1-12-9-33(24-20(12)23(27)29-11-30-24)19-5-13(21(35)22(19)36)8-31-39(28,37)38/h6-7,9,11,13,15,19,21-22,31,34-36H,3-5,8,10H2,(H2,27,29,30)(H2,28,37,38)/t13-,15+,19-,21-,22+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321054
PNG
(US10174040, Example 138 | [(1R,2S,4R)-4-[4-Amino-5...)
Show SMILES Cc1ccc(Cn2cc(cn2)-c2cn([C@H]3C[C@H](O)[C@@H](COS(N)(=O)=O)C3)c3ncnc(N)c23)cc1C
Show InChI InChI=1S/C24H29N7O4S/c1-14-3-4-16(5-15(14)2)9-30-10-18(8-29-30)20-11-31(24-22(20)23(25)27-13-28-24)19-6-17(21(32)7-19)12-35-36(26,33)34/h3-5,8,10-11,13,17,19,21,32H,6-7,9,12H2,1-2H3,(H2,25,27,28)(H2,26,33,34)/t17-,19-,21+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321038
PNG
(4-Amino-5-[2-[4-(azetidin-1-yl)-2,6-difluoro-pheny...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)N3CCC3)c12)[C@@H]1C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H25F2N7O4S/c24-16-7-14(31-4-1-5-31)8-17(25)15(16)3-2-12-10-32(23-19(12)22(26)28-11-29-23)18-6-13(20(33)21(18)34)9-30-37(27,35)36/h7-8,10-11,13,18,20-21,30,33-34H,1,4-6,9H2,(H2,26,28,29)(H2,27,35,36)/t13-,18-,20-,21+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320957
PNG
(4-[4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulf...)
Show SMILES Cc1ccccc1-c1nc(cs1)-c1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C21H23N7O5S2/c1-10-4-2-3-5-11(10)20-27-13(8-34-20)12-7-28(19-15(12)18(22)24-9-25-19)21-17(30)16(29)14(33-21)6-26-35(23,31)32/h2-5,7-9,14,16-17,21,26,29-30H,6H2,1H3,(H2,22,24,25)(H2,23,31,32)/t14-,16-,17-,21-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321001
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES CCSc1cccc(F)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C21H23FN6O5S2/c1-2-34-15-5-3-4-13(22)12(15)7-6-11-9-28(20-16(11)19(23)25-10-26-20)21-18(30)17(29)14(33-21)8-27-35(24,31)32/h3-5,9-10,14,17-18,21,27,29-30H,2,8H2,1H3,(H2,23,25,26)(H2,24,31,32)/t14-,17-,18-,21-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320972
PNG
(4-Amino-5-[2-[2,6-difluoro-4-[(3R)-3-fluoropyrroli...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)N3CC[C@@H](F)C3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H24F3N7O5S/c24-12-3-4-32(9-12)13-5-15(25)14(16(26)6-13)2-1-11-8-33(22-18(11)21(27)29-10-30-22)23-20(35)19(34)17(38-23)7-31-39(28,36)37/h5-6,8,10,12,17,19-20,23,31,34-35H,3-4,7,9H2,(H2,27,29,30)(H2,28,36,37)/t12-,17-,19-,20-,23-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321027
PNG
(4-[4-[2-[4-amino-7-[(1R,2S,3R,4R)-2,3-dihydroxy-4-...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)N3CCOCC3)c12)[C@@H]1C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C24H27F2N7O5S/c25-17-8-15(32-3-5-38-6-4-32)9-18(26)16(17)2-1-13-11-33(24-20(13)23(27)29-12-30-24)19-7-14(21(34)22(19)35)10-31-39(28,36)37/h8-9,11-12,14,19,21-22,31,34-35H,3-7,10H2,(H2,27,29,30)(H2,28,36,37)/t14-,19-,21-,22+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320983
PNG
(4-amino-5-[2-[4-(azetidin-1-yl)-2,6-difluoro-pheny...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)N3CCC3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H23F2N7O5S/c23-14-6-12(30-4-1-5-30)7-15(24)13(14)3-2-11-9-31(21-17(11)20(25)27-10-28-21)22-19(33)18(32)16(36-22)8-29-37(26,34)35/h6-7,9-10,16,18-19,22,29,32-33H,1,4-5,8H2,(H2,25,27,28)(H2,26,34,35)/t16-,18-,19-,22-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320960
PNG
(1-[2-[4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(s...)
Show SMILES Nc1ncnc2n(cc(C#Cc3nccc4ccccc34)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H21N7O5S/c23-20-17-13(5-6-15-14-4-2-1-3-12(14)7-8-25-15)10-29(21(17)27-11-26-20)22-19(31)18(30)16(34-22)9-28-35(24,32)33/h1-4,7-8,10-11,16,18-19,22,28,30-31H,9H2,(H2,23,26,27)(H2,24,32,33)/t16-,18-,19-,22-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320989
PNG
(4-Amino-5-[2-(5-benzyloxy-2-pyridyl)ethynyl]-7-[(2...)
Show SMILES Nc1ncnc2n(cc(C#Cc3ccc(OCc4ccccc4)cn3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C25H25N7O6S/c26-23-20-16(6-7-17-8-9-18(10-28-17)37-13-15-4-2-1-3-5-15)12-32(24(20)30-14-29-23)25-22(34)21(33)19(38-25)11-31-39(27,35)36/h1-5,8-10,12,14,19,21-22,25,31,33-34H,11,13H2,(H2,26,29,30)(H2,27,35,36)/t19-,21-,22-,25-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321025
PNG
(4-Amino-7-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamo...)
Show SMILES CSc1cccc(F)c1C#Cc1cn([C@@H]2C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C21H23FN6O4S2/c1-33-16-4-2-3-14(22)13(16)6-5-11-9-28(21-17(11)20(23)25-10-26-21)15-7-12(18(29)19(15)30)8-27-34(24,31)32/h2-4,9-10,12,15,18-19,27,29-30H,7-8H2,1H3,(H2,23,25,26)(H2,24,31,32)/t12-,15-,18-,19+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321002
PNG
(4-Amino-5-[2-[2,6-difluoro-4-(triazol-2-ylmethoxy)...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(OCn4nccn4)cc3F)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H21F2N9O6S/c23-14-5-12(38-10-33-29-3-4-30-33)6-15(24)13(14)2-1-11-8-32(21-17(11)20(25)27-9-28-21)22-19(35)18(34)16(39-22)7-31-40(26,36)37/h3-6,8-9,16,18-19,22,31,34-35H,7,10H2,(H2,25,27,28)(H2,26,36,37)/t16-,18-,19-,22-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320995
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES CSc1cccc(F)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C20H21FN6O5S2/c1-33-14-4-2-3-12(21)11(14)6-5-10-8-27(19-15(10)18(22)24-9-25-19)20-17(29)16(28)13(32-20)7-26-34(23,30)31/h2-4,8-9,13,16-17,20,26,28-29H,7H2,1H3,(H2,22,24,25)(H2,23,30,31)/t13-,16-,17-,20-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320996
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES CCCOc1cccc(F)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C22H25FN6O6S/c1-2-8-34-15-5-3-4-14(23)13(15)7-6-12-10-29(21-17(12)20(24)26-11-27-21)22-19(31)18(30)16(35-22)9-28-36(25,32)33/h3-5,10-11,16,18-19,22,28,30-31H,2,8-9H2,1H3,(H2,24,26,27)(H2,25,32,33)/t16-,18-,19-,22-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321024
PNG
(4-Amino-7-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamo...)
Show SMILES CCOc1cccc(F)c1C#Cc1cn([C@@H]2C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C22H25FN6O5S/c1-2-34-17-5-3-4-15(23)14(17)7-6-12-10-29(22-18(12)21(24)26-11-27-22)16-8-13(19(30)20(16)31)9-28-35(25,32)33/h3-5,10-11,13,16,19-20,28,30-31H,2,8-9H2,1H3,(H2,24,26,27)(H2,25,32,33)/t13-,16-,19-,20+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321029
PNG
(4-Amino-5-[2-[2,6-difluoro-4-(pyrazol-1-ylmethoxy)...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(OCn4cccn4)cc3F)c12)[C@@H]1C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C24H24F2N8O5S/c25-17-7-15(39-12-33-5-1-4-31-33)8-18(26)16(17)3-2-13-10-34(24-20(13)23(27)29-11-30-24)19-6-14(21(35)22(19)36)9-32-40(28,37)38/h1,4-5,7-8,10-11,14,19,21-22,32,35-36H,6,9,12H2,(H2,27,29,30)(H2,28,37,38)/t14-,19-,21-,22+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321056
PNG
(4-Amino-7-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamo...)
Show SMILES CCS(=O)(=O)c1cccc(F)c1C#Cc1cn([C@@H]2C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C22H25FN6O6S2/c1-2-36(32,33)17-5-3-4-15(23)14(17)7-6-12-10-29(22-18(12)21(24)26-11-27-22)16-8-13(19(30)20(16)31)9-28-37(25,34)35/h3-5,10-11,13,16,19-20,28,30-31H,2,8-9H2,1H3,(H2,24,26,27)(H2,25,34,35)/t13-,16-,19-,20+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320965
PNG
(4-Amino-5-[2-(4-amino-2-fluoro-phenyl)ethynyl]-7-[...)
Show SMILES Nc1ccc(C#Cc2cn([C@@H]3O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)c(F)c1
Show InChI InChI=1S/C19H20FN7O5S/c20-12-5-11(21)4-3-9(12)1-2-10-7-27(18-14(10)17(22)24-8-25-18)19-16(29)15(28)13(32-19)6-26-33(23,30)31/h3-5,7-8,13,15-16,19,26,28-29H,6,21H2,(H2,22,24,25)(H2,23,30,31)/t13-,15-,16-,19-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321043
PNG
(4-Amino-7-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamo...)
Show SMILES Nc1ncnc2n(cc(C#Cc3cccc4CCCS(=O)(=O)c34)c12)[C@@H]1C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H26N6O6S2/c24-22-18-15(7-6-14-4-1-3-13-5-2-8-36(32,33)21(13)14)11-29(23(18)27-12-26-22)17-9-16(19(30)20(17)31)10-28-37(25,34)35/h1,3-4,11-12,16-17,19-20,28,30-31H,2,5,8-10H2,(H2,24,26,27)(H2,25,34,35)/t16-,17-,19-,20+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321023
PNG
(8-[2-[4-Amino-7-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(s...)
Show SMILES Nc1ncnc2n(cc(C#Cc3cccc4cccnc34)c12)[C@@H]1C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H23N7O4S/c24-22-18-15(7-6-14-4-1-3-13-5-2-8-26-19(13)14)11-30(23(18)28-12-27-22)17-9-16(20(31)21(17)32)10-29-35(25,33)34/h1-5,8,11-12,16-17,20-21,29,31-32H,9-10H2,(H2,24,27,28)(H2,25,33,34)/t16-,17-,20-,21+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320986
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES COc1ccccc1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C20H22N6O6S/c1-31-13-5-3-2-4-11(13)6-7-12-9-26(19-15(12)18(21)23-10-24-19)20-17(28)16(27)14(32-20)8-25-33(22,29)30/h2-5,9-10,14,16-17,20,25,27-28H,8H2,1H3,(H2,21,23,24)(H2,22,29,30)/t14-,16-,17-,20-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321000
PNG
(8-[2-[4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(s...)
Show SMILES CN1CCOc2c1ccc(F)c2C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C22H24FN7O6S/c1-29-6-7-35-19-12(13(23)4-5-14(19)29)3-2-11-9-30(21-16(11)20(24)26-10-27-21)22-18(32)17(31)15(36-22)8-28-37(25,33)34/h4-5,9-10,15,17-18,22,28,31-32H,6-8H2,1H3,(H2,24,26,27)(H2,25,33,34)/t15-,17-,18-,22-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320961
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES COc1cccc(OC)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C21H24N6O7S/c1-32-13-4-3-5-14(33-2)12(13)7-6-11-9-27(20-16(11)19(22)24-10-25-20)21-18(29)17(28)15(34-21)8-26-35(23,30)31/h3-5,9-10,15,17-18,21,26,28-29H,8H2,1-2H3,(H2,22,24,25)(H2,23,30,31)/t15-,17-,18-,21-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321015
PNG
(2-[2-[4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(s...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cccc3S(N)(=O)=O)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H20FN7O7S2/c20-11-2-1-3-13(35(22,30)31)10(11)5-4-9-7-27(18-14(9)17(21)24-8-25-18)19-16(29)15(28)12(34-19)6-26-36(23,32)33/h1-3,7-8,12,15-16,19,26,28-29H,6H2,(H2,21,24,25)(H2,22,30,31)(H2,23,32,33)/t12-,15-,16-,19-/m1/s1
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n/an/a 9.70n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321013
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES CCSc1ccccc1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C21H24N6O5S2/c1-2-33-15-6-4-3-5-12(15)7-8-13-10-27(20-16(13)19(22)24-11-25-20)21-18(29)17(28)14(32-21)9-26-34(23,30)31/h3-6,10-11,14,17-18,21,26,28-29H,2,9H2,1H3,(H2,22,24,25)(H2,23,30,31)/t14-,17-,18-,21-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320977
PNG
(4-[4-[2-[4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)N3CCSCC3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H25F2N7O5S2/c24-15-7-13(31-3-5-38-6-4-31)8-16(25)14(15)2-1-12-10-32(22-18(12)21(26)28-11-29-22)23-20(34)19(33)17(37-23)9-30-39(27,35)36/h7-8,10-11,17,19-20,23,30,33-34H,3-6,9H2,(H2,26,28,29)(H2,27,35,36)/t17-,19-,20-,23-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321018
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES CSc1ccccc1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C20H22N6O5S2/c1-32-14-5-3-2-4-11(14)6-7-12-9-26(19-15(12)18(21)23-10-24-19)20-17(28)16(27)13(31-20)8-25-33(22,29)30/h2-5,9-10,13,16-17,20,25,27-28H,8H2,1H3,(H2,21,23,24)(H2,22,29,30)/t13-,16-,17-,20-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320999
PNG
(8-[2-[4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(s...)
Show SMILES COc1ccc2cccnc2c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C23H23N7O6S/c1-35-15-7-5-12-3-2-8-26-18(12)14(15)6-4-13-10-30(22-17(13)21(24)27-11-28-22)23-20(32)19(31)16(36-23)9-29-37(25,33)34/h2-3,5,7-8,10-11,16,19-20,23,29,31-32H,9H2,1H3,(H2,24,27,28)(H2,25,33,34)/t16-,19-,20-,23-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321052
PNG
(US10174040, Example 136 | [(1R,2R,3S,4R)-4-[4-Amin...)
Show SMILES Nc1ncnc2n(cc(-c3cnn(Cc4ccccc4)c3)c12)[C@@H]1C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H25N7O5S/c23-21-18-16(15-7-27-28(9-15)8-13-4-2-1-3-5-13)10-29(22(18)26-12-25-21)17-6-14(19(30)20(17)31)11-34-35(24,32)33/h1-5,7,9-10,12,14,17,19-20,30-31H,6,8,11H2,(H2,23,25,26)(H2,24,32,33)/t14-,17-,19-,20+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321058
PNG
(MLN4924 | N-[(1S)-1-indanyl]-7-[(1R)-3alpha-hydrox...)
Show SMILES NS(=O)(=O)OC[C@@H]1C[C@H](CC1O)n1ccc2c(N[C@H]3CCc4ccccc34)ncnc12
Show InChI InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19?/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320971
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES CCNc1cc(F)c(C#Cc2cn([C@@H]3O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)c(F)c1
Show InChI InChI=1S/C21H23F2N7O5S/c1-2-26-11-5-13(22)12(14(23)6-11)4-3-10-8-30(20-16(10)19(24)27-9-28-20)21-18(32)17(31)15(35-21)7-29-36(25,33)34/h5-6,8-9,15,17-18,21,26,29,31-32H,2,7H2,1H3,(H2,24,27,28)(H2,25,33,34)/t15-,17-,18-,21-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321022
PNG
(4-Amino-7-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamo...)
Show SMILES COc1cccc(F)c1C#Cc1cn([C@@H]2C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C21H23FN6O5S/c1-33-16-4-2-3-14(22)13(16)6-5-11-9-28(21-17(11)20(23)25-10-26-21)15-7-12(18(29)19(15)30)8-27-34(24,31)32/h2-4,9-10,12,15,18-19,27,29-30H,7-8H2,1H3,(H2,23,25,26)(H2,24,31,32)/t12-,15-,18-,19+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321031
PNG
(8-[4-[2-[4-Amino-7-[(1R,2S,3R,4R)-2,3-dihydroxy-4-...)
Show SMILES CCOc1cc(cc(F)c1C#Cc1cn([C@@H]2C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12)N1C2CCC1COC2
Show InChI InChI=1S/C28H34FN7O6S/c1-2-42-23-9-19(36-17-4-5-18(36)13-41-12-17)8-21(29)20(23)6-3-15-11-35(28-24(15)27(30)32-14-33-28)22-7-16(25(37)26(22)38)10-34-43(31,39)40/h8-9,11,14,16-18,22,25-26,34,37-38H,2,4-5,7,10,12-13H2,1H3,(H2,30,32,33)(H2,31,39,40)/t16-,17?,18?,22-,25-,26+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321004
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES CCS(=O)(=O)c1cc(cc(F)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12)N1CCCC1
Show InChI InChI=1S/C25H30FN7O7S2/c1-2-41(36,37)19-10-15(32-7-3-4-8-32)9-17(26)16(19)6-5-14-12-33(24-20(14)23(27)29-13-30-24)25-22(35)21(34)18(40-25)11-31-42(28,38)39/h9-10,12-13,18,21-22,25,31,34-35H,2-4,7-8,11H2,1H3,(H2,27,29,30)(H2,28,38,39)/t18-,21-,22-,25-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321028
PNG
(4-Amino-5-[2-[2,6-difluoro-4-(4-methylpiperazin-1-...)
Show SMILES CN1CCN(CC1)c1cc(F)c(C#Cc2cn([C@@H]3C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)c(F)c1
Show InChI InChI=1S/C25H30F2N8O4S/c1-33-4-6-34(7-5-33)16-9-18(26)17(19(27)10-16)3-2-14-12-35(25-21(14)24(28)30-13-31-25)20-8-15(22(36)23(20)37)11-32-40(29,38)39/h9-10,12-13,15,20,22-23,32,36-37H,4-8,11H2,1H3,(H2,28,30,31)(H2,29,38,39)/t15-,20-,22-,23+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320985
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES Nc1ncnc2n(cc(C#Cc3ccccc3F)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H19FN6O5S/c20-12-4-2-1-3-10(12)5-6-11-8-26(18-14(11)17(21)23-9-24-18)19-16(28)15(27)13(31-19)7-25-32(22,29)30/h1-4,8-9,13,15-16,19,25,27-28H,7H2,(H2,21,23,24)(H2,22,29,30)/t13-,15-,16-,19-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321005
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES COc1cncc(F)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C19H20FN7O6S/c1-32-12-5-23-4-11(20)10(12)3-2-9-7-27(18-14(9)17(21)24-8-25-18)19-16(29)15(28)13(33-19)6-26-34(22,30)31/h4-5,7-8,13,15-16,19,26,28-29H,6H2,1H3,(H2,21,24,25)(H2,22,30,31)/t13-,15-,16-,19-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321011
PNG
(4-Amino-5-[2-(3,5-difluoro-2-methoxy-4-pyridyl)eth...)
Show SMILES COc1ncc(F)c(C#Cc2cn([C@@H]3O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)c1F
Show InChI InChI=1S/C19H19F2N7O6S/c1-33-18-13(21)9(10(20)4-24-18)3-2-8-6-28(17-12(8)16(22)25-7-26-17)19-15(30)14(29)11(34-19)5-27-35(23,31)32/h4,6-7,11,14-15,19,27,29-30H,5H2,1H3,(H2,22,25,26)(H2,23,31,32)/t11-,14-,15-,19-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321003
PNG
(4-Amino-5-[2-(2,4-difluoro-3-pyridyl) ethynyl]-7-[...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)ccnc3F)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H17F2N7O5S/c19-10-3-4-23-15(20)9(10)2-1-8-6-27(17-12(8)16(21)24-7-25-17)18-14(29)13(28)11(32-18)5-26-33(22,30)31/h3-4,6-7,11,13-14,18,26,28-29H,5H2,(H2,21,24,25)(H2,22,30,31)/t11-,13-,14-,18-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320966
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES Nc1ncnc2n(cc(C#CC3CCc4ccccc34)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H24N6O5S/c23-20-17-14(8-7-13-6-5-12-3-1-2-4-15(12)13)10-28(21(17)26-11-25-20)22-19(30)18(29)16(33-22)9-27-34(24,31)32/h1-4,10-11,13,16,18-19,22,27,29-30H,5-6,9H2,(H2,23,25,26)(H2,24,31,32)/t13?,16-,18-,19-,22-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321032
PNG
(4-[4-[2-[4-Amino-7-[(1R,2S,3R,4R)-2,3-dihydroxy-4-...)
Show SMILES CCOc1cc(cc(F)c1C#Cc1cn([C@@H]2C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12)N1CCOCC1
Show InChI InChI=1S/C26H32FN7O6S/c1-2-40-21-11-17(33-5-7-39-8-6-33)10-19(27)18(21)4-3-15-13-34(26-22(15)25(28)30-14-31-26)20-9-16(23(35)24(20)36)12-32-41(29,37)38/h10-11,13-14,16,20,23-24,32,35-36H,2,5-9,12H2,1H3,(H2,28,30,31)(H2,29,37,38)/t16-,20-,23-,24+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320998
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES CCOc1cccc(OC)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C22H26N6O7S/c1-3-34-15-6-4-5-14(33-2)13(15)8-7-12-10-28(21-17(12)20(23)25-11-26-21)22-19(30)18(29)16(35-22)9-27-36(24,31)32/h4-6,10-11,16,18-19,22,27,29-30H,3,9H2,1-2H3,(H2,23,25,26)(H2,24,31,32)/t16-,18-,19-,22-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321055
PNG
(US10174040, Example 139 | [(2R,3S,5R)-5-[4-Amino-5...)
Show SMILES Cc1ccccc1-c1nc(cs1)-c1cn([C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)O2)c2ncnc(N)c12
Show InChI InChI=1S/C21H22N6O5S2/c1-11-4-2-3-5-12(11)21-26-14(9-33-21)13-7-27(20-18(13)19(22)24-10-25-20)17-6-15(28)16(32-17)8-31-34(23,29)30/h2-5,7,9-10,15-17,28H,6,8H2,1H3,(H2,22,24,25)(H2,23,29,30)/t15-,16+,17+/m0/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321051
PNG
(US10174040, Example 134 | [(2R,3S,5R)-5-[4-Amino-5...)
Show SMILES Nc1ncnc2n(cc(C#Cc3ccccc3)c12)[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1
Show InChI InChI=1S/C19H19N5O5S/c20-18-17-13(7-6-12-4-2-1-3-5-12)9-24(19(17)23-11-22-18)16-8-14(25)15(29-16)10-28-30(21,26)27/h1-5,9,11,14-16,25H,8,10H2,(H2,20,22,23)(H2,21,26,27)/t14-,15+,16+/m0/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321020
PNG
(3-[[4-[2-[4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5...)
Show SMILES NC(=O)c1cccc(COc2ccc(cc2)C#Cc2cn([C@@H]3O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)c1
Show InChI InChI=1S/C27H27N7O7S/c28-24-21-18(7-4-15-5-8-19(9-6-15)40-13-16-2-1-3-17(10-16)25(29)37)12-34(26(21)32-14-31-24)27-23(36)22(35)20(41-27)11-33-42(30,38)39/h1-3,5-6,8-10,12,14,20,22-23,27,33,35-36H,11,13H2,(H2,29,37)(H2,28,31,32)(H2,30,38,39)/t20-,22-,23-,27-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321017
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES Nc1ncnc2n(cc(C#Cc3ncccc3F)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H18FN7O5S/c19-10-2-1-5-22-11(10)4-3-9-7-26(17-13(9)16(20)23-8-24-17)18-15(28)14(27)12(31-18)6-25-32(21,29)30/h1-2,5,7-8,12,14-15,18,25,27-28H,6H2,(H2,20,23,24)(H2,21,29,30)/t12-,14-,15-,18-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320987
PNG
(4-Amino-5-[2-(2-cyanophenyl)ethynyl]-7-[(2R,3R,4S,...)
Show SMILES Nc1ncnc2n(cc(C#Cc3ccccc3C#N)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H19N7O5S/c21-7-12-4-2-1-3-11(12)5-6-13-9-27(19-15(13)18(22)24-10-25-19)20-17(29)16(28)14(32-20)8-26-33(23,30)31/h1-4,9-10,14,16-17,20,26,28-29H,8H2,(H2,22,24,25)(H2,23,30,31)/t14-,16-,17-,20-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321026
PNG
(4-Amino-7-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamo...)
Show SMILES CCSc1cccc(F)c1C#Cc1cn([C@@H]2C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C22H25FN6O4S2/c1-2-34-17-5-3-4-15(23)14(17)7-6-12-10-29(22-18(12)21(24)26-11-27-22)16-8-13(19(30)20(16)31)9-28-35(25,32)33/h3-5,10-11,13,16,19-20,28,30-31H,2,8-9H2,1H3,(H2,24,26,27)(H2,25,32,33)/t13-,16-,19-,20+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321044
PNG
(4-Amino-5-[2-(2-ethoxy-6-fluoro-phenyl)ethynyl]-7-...)
Show SMILES CCOc1cccc(F)c1C#Cc1cn([C@H]2C[C@H](O)[C@@H](CNS(N)(=O)=O)O2)c2ncnc(N)c12
Show InChI InChI=1S/C21H23FN6O5S/c1-2-32-16-5-3-4-14(22)13(16)7-6-12-10-28(21-19(12)20(23)25-11-26-21)18-8-15(29)17(33-18)9-27-34(24,30)31/h3-5,10-11,15,17-18,27,29H,2,8-9H2,1H3,(H2,23,25,26)(H2,24,30,31)/t15-,17+,18+/m0/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321014
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES Nc1ncnc2n(cc(C#Cc3cccc4CCCS(=O)(=O)c34)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H24N6O7S2/c23-20-16-14(7-6-13-4-1-3-12-5-2-8-36(31,32)19(12)13)10-28(21(16)26-11-25-20)22-18(30)17(29)15(35-22)9-27-37(24,33)34/h1,3-4,10-11,15,17-18,22,27,29-30H,2,5,8-9H2,(H2,23,25,26)(H2,24,33,34)/t15-,17-,18-,22-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321053
PNG
(US10174040, Example 137 | [(2R,3S,5R)-5-[4-Amino-5...)
Show SMILES Cc1ccc(Cn2cc(cn2)-c2cn([C@H]3C[C@H](O)[C@@H](COS(N)(=O)=O)O3)c3ncnc(N)c23)cc1C
Show InChI InChI=1S/C23H27N7O5S/c1-13-3-4-15(5-14(13)2)8-29-9-16(7-28-29)17-10-30(23-21(17)22(24)26-12-27-23)20-6-18(31)19(35-20)11-34-36(25,32)33/h3-5,7,9-10,12,18-20,31H,6,8,11H2,1-2H3,(H2,24,26,27)(H2,25,32,33)/t18-,19+,20+/m0/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321042
PNG
(8-[2-[4-amino-7-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(s...)
Show SMILES CN1CCOc2c1ccc(F)c2C#Cc1cn([C@@H]2C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C23H26FN7O5S/c1-30-6-7-36-21-14(15(24)4-5-16(21)30)3-2-12-10-31(23-18(12)22(25)27-11-28-23)17-8-13(19(32)20(17)33)9-29-37(26,34)35/h4-5,10-11,13,17,19-20,29,32-33H,6-9H2,1H3,(H2,25,27,28)(H2,26,34,35)/t13-,17-,19-,20+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321021
PNG
(4-Amino-7-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamo...)
Show SMILES COc1cccc(OC)c1C#Cc1cn([C@@H]2C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C22H26N6O6S/c1-33-16-4-3-5-17(34-2)14(16)7-6-12-10-28(22-18(12)21(23)25-11-26-22)15-8-13(19(29)20(15)30)9-27-35(24,31)32/h3-5,10-11,13,15,19-20,27,29-30H,8-9H2,1-2H3,(H2,23,25,26)(H2,24,31,32)/t13-,15-,19-,20+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321057
PNG
(4-Amino-5-[2-(2-ethylsulfonyl-6-fluoro-phenyl) eth...)
Show SMILES CCS(=O)(=O)c1cccc(F)c1C#Cc1cn([C@H]2C[C@H](O)[C@@H](CNS(N)(=O)=O)O2)c2ncnc(N)c12
Show InChI InChI=1S/C21H23FN6O6S2/c1-2-35(30,31)17-5-3-4-14(22)13(17)7-6-12-10-28(21-19(12)20(23)25-11-26-21)18-8-15(29)16(34-18)9-27-36(24,32)33/h3-5,10-11,15-16,18,27,29H,2,8-9H2,1H3,(H2,23,25,26)(H2,24,32,33)/t15-,16+,18+/m0/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320959
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES Nc1ncnc2n(cc(C#CC3(CC3)c3ccccc3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H24N6O5S/c23-19-16-13(6-7-22(8-9-22)14-4-2-1-3-5-14)11-28(20(16)26-12-25-19)21-18(30)17(29)15(33-21)10-27-34(24,31)32/h1-5,11-12,15,17-18,21,27,29-30H,8-10H2,(H2,23,25,26)(H2,24,31,32)/t15-,17-,18-,21-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320975
PNG
(4-[4-[2-[4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-...)
Show SMILES CCOc1cc(cc(F)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12)N1CCOCC1
Show InChI InChI=1S/C25H30FN7O7S/c1-2-39-18-10-15(32-5-7-38-8-6-32)9-17(26)16(18)4-3-14-12-33(24-20(14)23(27)29-13-30-24)25-22(35)21(34)19(40-25)11-31-41(28,36)37/h9-10,12-13,19,21-22,25,31,34-35H,2,5-8,11H2,1H3,(H2,27,29,30)(H2,28,36,37)/t19-,21-,22-,25-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321050
PNG
(US10174040, Example 133 | [(2R,3S,4R,5R)-5-[4-Amin...)
Show SMILES Nc1ncnc2n(cc(C#Cc3cccc4ccccc34)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H21N5O6S/c24-21-18-15(9-8-14-6-3-5-13-4-1-2-7-16(13)14)10-28(22(18)27-12-26-21)23-20(30)19(29)17(34-23)11-33-35(25,31)32/h1-7,10,12,17,19-20,23,29-30H,11H2,(H2,24,26,27)(H2,25,31,32)/t17-,19-,20-,23-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320973
PNG
(4-Amino-5-[2-[2,6-difluoro-4-[(3R)-3-hydroxypyrrol...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)N3CC[C@@H](O)C3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H25F2N7O6S/c24-15-5-12(31-4-3-13(33)9-31)6-16(25)14(15)2-1-11-8-32(22-18(11)21(26)28-10-29-22)23-20(35)19(34)17(38-23)7-30-39(27,36)37/h5-6,8,10,13,17,19-20,23,30,33-35H,3-4,7,9H2,(H2,26,28,29)(H2,27,36,37)/t13-,17-,19-,20-,23-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320963
PNG
(4-Amino-5-[2-[2-(difluoromethoxy)phenyl]ethynyl]-7...)
Show SMILES Nc1ncnc2n(cc(C#Cc3ccccc3OC(F)F)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H20F2N6O6S/c21-20(22)34-12-4-2-1-3-10(12)5-6-11-8-28(18-14(11)17(23)25-9-26-18)19-16(30)15(29)13(33-19)7-27-35(24,31)32/h1-4,8-9,13,15-16,19-20,27,29-30H,7H2,(H2,23,25,26)(H2,24,31,32)/t13-,15-,16-,19-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321030
PNG
(4-Amino-7-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamo...)
Show SMILES CCOc1cc(cc(F)c1C#Cc1cn([C@@H]2C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12)N1CCCCC1
Show InChI InChI=1S/C27H34FN7O5S/c1-2-40-22-12-18(34-8-4-3-5-9-34)11-20(28)19(22)7-6-16-14-35(27-23(16)26(29)31-15-32-27)21-10-17(24(36)25(21)37)13-33-41(30,38)39/h11-12,14-15,17,21,24-25,33,36-37H,2-5,8-10,13H2,1H3,(H2,29,31,32)(H2,30,38,39)/t17-,21-,24-,25+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320964
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES Nc1ncnc2n(cc(C#Cc3ccc4[nH]ncc4n3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H19N9O5S/c20-17-14-9(1-2-10-3-4-11-12(26-10)5-24-27-11)7-28(18(14)23-8-22-17)19-16(30)15(29)13(33-19)6-25-34(21,31)32/h3-5,7-8,13,15-16,19,25,29-30H,6H2,(H,24,27)(H2,20,22,23)(H2,21,31,32)/t13-,15-,16-,19-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320984
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES Nc1ncnc2n(cc(C#Cc3ccccn3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H19N7O5S/c19-16-13-10(4-5-11-3-1-2-6-21-11)8-25(17(13)23-9-22-16)18-15(27)14(26)12(30-18)7-24-31(20,28)29/h1-3,6,8-9,12,14-15,18,24,26-27H,7H2,(H2,19,22,23)(H2,20,28,29)/t12-,14-,15-,18-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320958
PNG
(4-[2-[4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(s...)
Show SMILES Nc1ncnc2n(cc(C#Cc3ccnc4ccccc34)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H21N7O5S/c23-20-17-13(6-5-12-7-8-25-15-4-2-1-3-14(12)15)10-29(21(17)27-11-26-20)22-19(31)18(30)16(34-22)9-28-35(24,32)33/h1-4,7-8,10-11,16,18-19,22,28,30-31H,9H2,(H2,23,26,27)(H2,24,32,33)/t16-,18-,19-,22-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321052
PNG
(US10174040, Example 136 | [(1R,2R,3S,4R)-4-[4-Amin...)
Show SMILES Nc1ncnc2n(cc(-c3cnn(Cc4ccccc4)c3)c12)[C@@H]1C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H25N7O5S/c23-21-18-16(15-7-27-28(9-15)8-13-4-2-1-3-5-13)10-29(22(18)26-12-25-21)17-6-14(19(30)20(17)31)11-34-35(24,32)33/h1-5,7,9-10,12,14,17,19-20,30-31H,6,8,11H2,(H2,23,25,26)(H2,24,32,33)/t14-,17-,19-,20+/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321058
PNG
(MLN4924 | N-[(1S)-1-indanyl]-7-[(1R)-3alpha-hydrox...)
Show SMILES NS(=O)(=O)OC[C@@H]1C[C@H](CC1O)n1ccc2c(N[C@H]3CCc4ccccc34)ncnc12
Show InChI InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19?/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321054
PNG
(US10174040, Example 138 | [(1R,2S,4R)-4-[4-Amino-5...)
Show SMILES Cc1ccc(Cn2cc(cn2)-c2cn([C@H]3C[C@H](O)[C@@H](COS(N)(=O)=O)C3)c3ncnc(N)c23)cc1C
Show InChI InChI=1S/C24H29N7O4S/c1-14-3-4-16(5-15(14)2)9-30-10-18(8-29-30)20-11-31(24-22(20)23(25)27-13-28-24)19-6-17(21(32)7-19)12-35-36(26,33)34/h3-5,8,10-11,13,17,19,21,32H,6-7,9,12H2,1-2H3,(H2,25,27,28)(H2,26,33,34)/t17-,19-,21+/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321024
PNG
(4-Amino-7-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamo...)
Show SMILES CCOc1cccc(F)c1C#Cc1cn([C@@H]2C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C22H25FN6O5S/c1-2-34-17-5-3-4-15(23)14(17)7-6-12-10-29(22-18(12)21(24)26-11-27-22)16-8-13(19(30)20(16)31)9-28-35(25,32)33/h3-5,10-11,13,16,19-20,28,30-31H,2,8-9H2,1H3,(H2,24,26,27)(H2,25,32,33)/t13-,16-,19-,20+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321065
PNG
(4-[4-Amino-7-[(2R,4S,5R)-4-hydroxy-5-[(sulfamoylam...)
Show SMILES Cc1ccccc1-c1nc(cs1)-c1cn([C@H]2C[C@H](O)[C@@H](CNS(N)(=O)=O)O2)c2ncnc(N)c12
Show InChI InChI=1S/C21H23N7O4S2/c1-11-4-2-3-5-12(11)21-27-14(9-33-21)13-8-28(20-18(13)19(22)24-10-25-20)17-6-15(29)16(32-17)7-26-34(23,30)31/h2-5,8-10,15-17,26,29H,6-7H2,1H3,(H2,22,24,25)(H2,23,30,31)/t15-,16+,17+/m0/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321044
PNG
(4-Amino-5-[2-(2-ethoxy-6-fluoro-phenyl)ethynyl]-7-...)
Show SMILES CCOc1cccc(F)c1C#Cc1cn([C@H]2C[C@H](O)[C@@H](CNS(N)(=O)=O)O2)c2ncnc(N)c12
Show InChI InChI=1S/C21H23FN6O5S/c1-2-32-16-5-3-4-14(22)13(16)7-6-12-10-28(21-19(12)20(23)25-11-26-21)18-8-15(29)17(33-18)9-27-34(24,30)31/h3-5,10-11,15,17-18,27,29H,2,8-9H2,1H3,(H2,23,25,26)(H2,24,30,31)/t15-,17+,18+/m0/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM320969
PNG
(4-Amino-5-[2-(4-amino-2,6-difluoro-phenyl)ethynyl]...)
Show SMILES Nc1cc(F)c(C#Cc2cn([C@@H]3O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)c(F)c1
Show InChI InChI=1S/C19H19F2N7O5S/c20-11-3-9(22)4-12(21)10(11)2-1-8-6-28(18-14(8)17(23)25-7-26-18)19-16(30)15(29)13(33-19)5-27-34(24,31)32/h3-4,6-7,13,15-16,19,27,29-30H,5,22H2,(H2,23,25,26)(H2,24,31,32)/t13-,15-,16-,19-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321055
PNG
(US10174040, Example 139 | [(2R,3S,5R)-5-[4-Amino-5...)
Show SMILES Cc1ccccc1-c1nc(cs1)-c1cn([C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)O2)c2ncnc(N)c12
Show InChI InChI=1S/C21H22N6O5S2/c1-11-4-2-3-5-12(11)21-26-14(9-33-21)13-7-27(20-18(13)19(22)24-10-25-20)17-6-15(28)16(32-17)8-31-34(23,29)30/h2-5,7,9-10,15-17,28H,6,8H2,1H3,(H2,22,24,25)(H2,23,29,30)/t15-,16+,17+/m0/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM320997
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cccc3OCC(F)(F)F)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H20F4N6O6S/c22-12-2-1-3-13(36-8-21(23,24)25)11(12)5-4-10-7-31(19-15(10)18(26)28-9-29-19)20-17(33)16(32)14(37-20)6-30-38(27,34)35/h1-3,7,9,14,16-17,20,30,32-33H,6,8H2,(H2,26,28,29)(H2,27,34,35)/t14-,16-,17-,20-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM320989
PNG
(4-Amino-5-[2-(5-benzyloxy-2-pyridyl)ethynyl]-7-[(2...)
Show SMILES Nc1ncnc2n(cc(C#Cc3ccc(OCc4ccccc4)cn3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C25H25N7O6S/c26-23-20-16(6-7-17-8-9-18(10-28-17)37-13-15-4-2-1-3-5-15)12-32(24(20)30-14-29-23)25-22(34)21(33)19(38-25)11-31-39(27,35)36/h1-5,8-10,12,14,19,21-22,25,31,33-34H,11,13H2,(H2,26,29,30)(H2,27,35,36)/t19-,21-,22-,25-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM320957
PNG
(4-[4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulf...)
Show SMILES Cc1ccccc1-c1nc(cs1)-c1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C21H23N7O5S2/c1-10-4-2-3-5-11(10)20-27-13(8-34-20)12-7-28(19-15(12)18(22)24-9-25-19)21-17(30)16(29)14(33-21)6-26-35(23,31)32/h2-5,7-9,14,16-17,21,26,29-30H,6H2,1H3,(H2,22,24,25)(H2,23,31,32)/t14-,16-,17-,21-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321047
PNG
(4-Amino-7-[(1R,4R,5S)-4,5-dihydroxy-3-[(sulfamoyla...)
Show SMILES CSc1cccc(F)c1C#Cc1cn([C@@H]2C=C(CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C21H21FN6O4S2/c1-33-16-4-2-3-14(22)13(16)6-5-11-9-28(21-17(11)20(23)25-10-26-21)15-7-12(18(29)19(15)30)8-27-34(24,31)32/h2-4,7,9-10,15,18-19,27,29-30H,8H2,1H3,(H2,23,25,26)(H2,24,31,32)/t15-,18-,19+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM320996
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES CCCOc1cccc(F)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C22H25FN6O6S/c1-2-8-34-15-5-3-4-14(23)13(15)7-6-12-10-29(21-17(12)20(24)26-11-27-21)22-19(31)18(30)16(35-22)9-28-36(25,32)33/h3-5,10-11,16,18-19,22,28,30-31H,2,8-9H2,1H3,(H2,24,26,27)(H2,25,32,33)/t16-,18-,19-,22-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM320970
PNG
(4-Amino-5-[2-[2,6-difluoro-4-(methylamino)phenyl]e...)
Show SMILES CNc1cc(F)c(C#Cc2cn([C@@H]3O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)c(F)c1
Show InChI InChI=1S/C20H21F2N7O5S/c1-25-10-4-12(21)11(13(22)5-10)3-2-9-7-29(19-15(9)18(23)26-8-27-19)20-17(31)16(30)14(34-20)6-28-35(24,32)33/h4-5,7-8,14,16-17,20,25,28,30-31H,6H2,1H3,(H2,23,26,27)(H2,24,32,33)/t14-,16-,17-,20-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321061
PNG
(4-[4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulf...)
Show SMILES Nc1ncnc2n(cc(-c3coc(n3)-c3ccccc3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21N7O6S/c21-17-14-11(12-8-32-19(26-12)10-4-2-1-3-5-10)7-27(18(14)24-9-23-17)20-16(29)15(28)13(33-20)6-25-34(22,30)31/h1-5,7-9,13,15-16,20,25,28-29H,6H2,(H2,21,23,24)(H2,22,30,31)/t13-,15-,16-,20-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321017
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES Nc1ncnc2n(cc(C#Cc3ncccc3F)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H18FN7O5S/c19-10-2-1-5-22-11(10)4-3-9-7-26(17-13(9)16(20)23-8-24-17)18-15(28)14(27)12(31-18)6-25-32(21,29)30/h1-2,5,7-8,12,14-15,18,25,27-28H,6H2,(H2,20,23,24)(H2,21,29,30)/t12-,14-,15-,18-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM320983
PNG
(4-amino-5-[2-[4-(azetidin-1-yl)-2,6-difluoro-pheny...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)N3CCC3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H23F2N7O5S/c23-14-6-12(30-4-1-5-30)7-15(24)13(14)3-2-11-9-31(21-17(11)20(25)27-10-28-21)22-19(33)18(32)16(36-22)8-29-37(26,34)35/h6-7,9-10,16,18-19,22,29,32-33H,1,4-5,8H2,(H2,25,27,28)(H2,26,34,35)/t16-,18-,19-,22-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM320976
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES CCOc1cc(F)cc(F)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C21H22F2N6O6S/c1-2-34-14-6-11(22)5-13(23)12(14)4-3-10-8-29(20-16(10)19(24)26-9-27-20)21-18(31)17(30)15(35-21)7-28-36(25,32)33/h5-6,8-9,15,17-18,21,28,30-31H,2,7H2,1H3,(H2,24,26,27)(H2,25,32,33)/t15-,17-,18-,21-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321040
PNG
(4-Amino-5-[2-[2,6-difluoro-4-[(3R)-3-hydroxypyrrol...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)N3CC[C@@H](O)C3)c12)[C@@H]1C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C24H27F2N7O5S/c25-17-6-14(32-4-3-15(34)10-32)7-18(26)16(17)2-1-12-9-33(24-20(12)23(27)29-11-30-24)19-5-13(21(35)22(19)36)8-31-39(28,37)38/h6-7,9,11,13,15,19,21-22,31,34-36H,3-5,8,10H2,(H2,27,29,30)(H2,28,37,38)/t13-,15-,19-,21-,22+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321001
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES CCSc1cccc(F)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C21H23FN6O5S2/c1-2-34-15-5-3-4-13(22)12(15)7-6-11-9-28(20-16(11)19(23)25-10-26-20)21-18(30)17(29)14(33-21)8-27-35(24,31)32/h3-5,9-10,14,17-18,21,27,29-30H,2,8H2,1H3,(H2,23,25,26)(H2,24,31,32)/t14-,17-,18-,21-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321046
PNG
(4-Amino-7-[(1R,4R,5S)-4,5-dihydroxy-3-[(sulfamoyla...)
Show SMILES CCOc1cccc(F)c1C#Cc1cn([C@@H]2C=C(CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C22H23FN6O5S/c1-2-34-17-5-3-4-15(23)14(17)7-6-12-10-29(22-18(12)21(24)26-11-27-22)16-8-13(19(30)20(16)31)9-28-35(25,32)33/h3-5,8,10-11,16,19-20,28,30-31H,2,9H2,1H3,(H2,24,26,27)(H2,25,32,33)/t16-,19-,20+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321042
PNG
(8-[2-[4-amino-7-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(s...)
Show SMILES CN1CCOc2c1ccc(F)c2C#Cc1cn([C@@H]2C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C23H26FN7O5S/c1-30-6-7-36-21-14(15(24)4-5-16(21)30)3-2-12-10-31(23-18(12)22(25)27-11-28-23)17-8-13(19(32)20(17)33)9-29-37(26,34)35/h4-5,10-11,13,17,19-20,29,32-33H,6-9H2,1H3,(H2,25,27,28)(H2,26,34,35)/t13-,17-,19-,20+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321025
PNG
(4-Amino-7-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamo...)
Show SMILES CSc1cccc(F)c1C#Cc1cn([C@@H]2C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C21H23FN6O4S2/c1-33-16-4-2-3-14(22)13(16)6-5-11-9-28(21-17(11)20(23)25-10-26-21)15-7-12(18(29)19(15)30)8-27-34(24,31)32/h2-4,9-10,12,15,18-19,27,29-30H,7-8H2,1H3,(H2,23,25,26)(H2,24,31,32)/t12-,15-,18-,19+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321016
PNG
(4-Amino-5-[2-[2-(cyclopropylmethoxy)-6-fluoro-phen...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cccc3OCC3CC3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H25FN6O6S/c24-15-2-1-3-16(35-10-12-4-5-12)14(15)7-6-13-9-30(22-18(13)21(25)27-11-28-22)23-20(32)19(31)17(36-23)8-29-37(26,33)34/h1-3,9,11-12,17,19-20,23,29,31-32H,4-5,8,10H2,(H2,25,27,28)(H2,26,33,34)/t17-,19-,20-,23-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM320991
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES CCOc1cccc(F)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C21H23FN6O6S/c1-2-33-14-5-3-4-13(22)12(14)7-6-11-9-28(20-16(11)19(23)25-10-26-20)21-18(30)17(29)15(34-21)8-27-35(24,31)32/h3-5,9-10,15,17-18,21,27,29-30H,2,8H2,1H3,(H2,23,25,26)(H2,24,31,32)/t15-,17-,18-,21-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM320987
PNG
(4-Amino-5-[2-(2-cyanophenyl)ethynyl]-7-[(2R,3R,4S,...)
Show SMILES Nc1ncnc2n(cc(C#Cc3ccccc3C#N)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H19N7O5S/c21-7-12-4-2-1-3-11(12)5-6-13-9-27(19-15(13)18(22)24-10-25-19)20-17(29)16(28)14(32-20)8-26-33(23,30)31/h1-4,9-10,14,16-17,20,26,28-29H,8H2,(H2,22,24,25)(H2,23,30,31)/t14-,16-,17-,20-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321059
PNG
(4-Amino-5-[2-(4-benzyloxyphenyl)ethynyl]-7-[(2R,3R...)
Show SMILES Nc1ncnc2n(cc(C#Cc3ccc(OCc4ccccc4)cc3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C26H26N6O6S/c27-24-21-18(9-6-16-7-10-19(11-8-16)37-14-17-4-2-1-3-5-17)13-32(25(21)30-15-29-24)26-23(34)22(33)20(38-26)12-31-39(28,35)36/h1-5,7-8,10-11,13,15,20,22-23,26,31,33-34H,12,14H2,(H2,27,29,30)(H2,28,35,36)/t20-,22-,23-,26-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321057
PNG
(4-Amino-5-[2-(2-ethylsulfonyl-6-fluoro-phenyl) eth...)
Show SMILES CCS(=O)(=O)c1cccc(F)c1C#Cc1cn([C@H]2C[C@H](O)[C@@H](CNS(N)(=O)=O)O2)c2ncnc(N)c12
Show InChI InChI=1S/C21H23FN6O6S2/c1-2-35(30,31)17-5-3-4-14(22)13(17)7-6-12-10-28(21-19(12)20(23)25-11-26-21)18-8-15(29)16(34-18)9-27-36(24,32)33/h3-5,10-11,15-16,18,27,29H,2,8-9H2,1H3,(H2,23,25,26)(H2,24,32,33)/t15-,16+,18+/m0/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM320985
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES Nc1ncnc2n(cc(C#Cc3ccccc3F)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H19FN6O5S/c20-12-4-2-1-3-10(12)5-6-11-8-26(18-14(11)17(21)23-9-24-18)19-16(28)15(27)13(31-19)7-25-32(22,29)30/h1-4,8-9,13,15-16,19,25,27-28H,7H2,(H2,21,23,24)(H2,22,29,30)/t13-,15-,16-,19-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM320979
PNG
(4-Amino-5-[2-[2,6-difluoro-4-(3-hydroxyazetidin-1-...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)N3CC(O)C3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H23F2N7O6S/c23-14-3-11(30-7-12(32)8-30)4-15(24)13(14)2-1-10-6-31(21-17(10)20(25)27-9-28-21)22-19(34)18(33)16(37-22)5-29-38(26,35)36/h3-4,6,9,12,16,18-19,22,29,32-34H,5,7-8H2,(H2,25,27,28)(H2,26,35,36)/t16-,18-,19-,22-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321063
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES Nc1ncnc2n(cc(C#CCc3ccccc3F)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21FN6O5S/c21-13-7-2-1-4-11(13)5-3-6-12-9-27(19-15(12)18(22)24-10-25-19)20-17(29)16(28)14(32-20)8-26-33(23,30)31/h1-2,4,7,9-10,14,16-17,20,26,28-29H,5,8H2,(H2,22,24,25)(H2,23,30,31)/t14-,16-,17-,20-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321060
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES Nc1ncnc2n(cc(C#Cc3cccc4ccccc34)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H22N6O5S/c24-21-18-15(9-8-14-6-3-5-13-4-1-2-7-16(13)14)11-29(22(18)27-12-26-21)23-20(31)19(30)17(34-23)10-28-35(25,32)33/h1-7,11-12,17,19-20,23,28,30-31H,10H2,(H2,24,26,27)(H2,25,32,33)/t17-,19-,20-,23-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM320956
PNG
(4-Amino-5-[2-(2,6-difluorophenyl)ethynyl]-7-[(2R,3...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cccc3F)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H18F2N6O5S/c20-11-2-1-3-12(21)10(11)5-4-9-7-27(18-14(9)17(22)24-8-25-18)19-16(29)15(28)13(32-19)6-26-33(23,30)31/h1-3,7-8,13,15-16,19,26,28-29H,6H2,(H2,22,24,25)(H2,23,30,31)/t13-,15-,16-,19-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM320972
PNG
(4-Amino-5-[2-[2,6-difluoro-4-[(3R)-3-fluoropyrroli...)
Show SMILES Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)N3CC[C@@H](F)C3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H24F3N7O5S/c24-12-3-4-32(9-12)13-5-15(25)14(16(26)6-13)2-1-11-8-33(22-18(11)21(27)29-10-30-22)23-20(35)19(34)17(38-23)7-31-39(28,36)37/h5-6,8,10,12,17,19-20,23,31,34-35H,3-4,7,9H2,(H2,27,29,30)(H2,28,36,37)/t12-,17-,19-,20-,23-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM320959
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES Nc1ncnc2n(cc(C#CC3(CC3)c3ccccc3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H24N6O5S/c23-19-16-13(6-7-22(8-9-22)14-4-2-1-3-5-14)11-28(20(16)26-12-25-19)21-18(30)17(29)15(33-21)10-27-34(24,31)32/h1-5,11-12,15,17-18,21,27,29-30H,8-10H2,(H2,23,25,26)(H2,24,31,32)/t15-,17-,18-,21-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321051
PNG
(US10174040, Example 134 | [(2R,3S,5R)-5-[4-Amino-5...)
Show SMILES Nc1ncnc2n(cc(C#Cc3ccccc3)c12)[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1
Show InChI InChI=1S/C19H19N5O5S/c20-18-17-13(7-6-12-4-2-1-3-5-12)9-24(19(17)23-11-22-18)16-8-14(25)15(29-16)10-28-30(21,26)27/h1-5,9,11,14-16,25H,8,10H2,(H2,20,22,23)(H2,21,26,27)/t14-,15+,16+/m0/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321000
PNG
(8-[2-[4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(s...)
Show SMILES CN1CCOc2c1ccc(F)c2C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C22H24FN7O6S/c1-29-6-7-35-19-12(13(23)4-5-14(19)29)3-2-11-9-30(21-16(11)20(24)26-10-27-21)22-18(32)17(31)15(36-22)8-28-37(25,33)34/h4-5,9-10,15,17-18,22,28,31-32H,6-8H2,1H3,(H2,24,26,27)(H2,25,33,34)/t15-,17-,18-,22-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM320986
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES COc1ccccc1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C20H22N6O6S/c1-31-13-5-3-2-4-11(13)6-7-12-9-26(19-15(12)18(21)23-10-24-19)20-17(28)16(27)14(32-20)8-25-33(22,29)30/h2-5,9-10,14,16-17,20,25,27-28H,8H2,1H3,(H2,21,23,24)(H2,22,29,30)/t14-,16-,17-,20-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321062
PNG
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)
Show SMILES Nc1ncnc2n(cc(C#Cc3ccccc3OC(F)(F)F)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H19F3N6O6S/c21-20(22,23)35-12-4-2-1-3-10(12)5-6-11-8-29(18-14(11)17(24)26-9-27-18)19-16(31)15(30)13(34-19)7-28-36(25,32)33/h1-4,8-9,13,15-16,19,28,30-31H,7H2,(H2,24,26,27)(H2,25,32,33)/t13-,15-,16-,19-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321064
PNG
(4-Amino-5-(3-cyclohexylprop-1-ynyl)-7-[(2R,3R,4S,5...)
Show SMILES Nc1ncnc2n(cc(C#CCC3CCCCC3)c12)[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H28N6O5S/c21-18-15-13(8-4-7-12-5-2-1-3-6-12)10-26(19(15)24-11-23-18)20-17(28)16(27)14(31-20)9-25-32(22,29)30/h10-12,14,16-17,20,25,27-28H,1-3,5-7,9H2,(H2,21,23,24)(H2,22,29,30)/t14-,16-,17-,20-/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%