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Compile Data Set for Download or QSAR

Found 40 hits of Enz. Inhib. data with enzyme = 'Carbonic anhydrase 2' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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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))
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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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))
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
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))
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))
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))
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))
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))
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))
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))
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
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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