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Patent code US10155722

Compile Data Set for Download or QSAR
Found 20 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
IDH2 (R172K, 40-end)


(Homo sapiens (Human))
BDBM310927
PNG
(N-cyclopropyl-2,2-difluoro-2-(4-(thiophen-3-yl)-3-...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)C(F)(F)C(=O)NC2CC2)c1
Show InChI InChI=1S/C23H18F5N3O2S/c24-22(25,20(32)29-16-5-6-16)14-4-7-18(13-8-9-34-12-13)19(11-14)31-21(33)30-17-3-1-2-15(10-17)23(26,27)28/h1-4,7-12,16H,5-6H2,(H,29,32)(H2,30,31,33)
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US Patent
n/an/a 14.2n/an/an/an/an/an/a



Chia Tai Tianqing Pharmaceutical Group Co., Ltd.; Lianyungang Runzhong Pharmaceutical Co., Ltd.; Centaurus Biopharma Co., Ltd.

US Patent


Assay Description
The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre...


US Patent US10155722 (2018)

More data for this
Ligand-Target Pair
IDH2 (R172K, 40-end)


(Homo sapiens (Human))
BDBM310935
PNG
(US10155722, Example 5)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)C(F)(F)C(=O)NC2COC2)c1
Show InChI InChI=1S/C23H18F5N3O3S/c24-22(25,20(32)29-17-10-34-11-17)14-4-5-18(13-6-7-35-12-13)19(9-14)31-21(33)30-16-3-1-2-15(8-16)23(26,27)28/h1-9,12,17H,10-11H2,(H,29,32)(H2,30,31,33)
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n/an/a 29.5n/an/an/an/an/an/a



Chia Tai Tianqing Pharmaceutical Group Co., Ltd.; Lianyungang Runzhong Pharmaceutical Co., Ltd.; Centaurus Biopharma Co., Ltd.

US Patent


Assay Description
The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre...


US Patent US10155722 (2018)

More data for this
Ligand-Target Pair
IDH2 (R172K, 40-end)


(Homo sapiens (Human))
BDBM310929
PNG
(US10155722, Example 2)
Show SMILES FC(F)(F)CNC(=O)C(F)(F)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H15F8N3O2S/c23-20(24,25)11-31-18(34)21(26,27)13-4-5-16(12-6-7-36-10-12)17(9-13)33-19(35)32-15-3-1-2-14(8-15)22(28,29)30/h1-10H,11H2,(H,31,34)(H2,32,33,35)
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n/an/a 45.5n/an/an/an/an/an/a



Chia Tai Tianqing Pharmaceutical Group Co., Ltd.; Lianyungang Runzhong Pharmaceutical Co., Ltd.; Centaurus Biopharma Co., Ltd.

US Patent


Assay Description
The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre...


US Patent US10155722 (2018)

More data for this
Ligand-Target Pair
IDH2 (R172K, 40-end)


(Homo sapiens (Human))
BDBM310946
PNG
(US10155722, Example 12)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccccc2)C(F)(F)C(=O)NC2CC2)c1
Show InChI InChI=1S/C25H20F5N3O2/c26-24(27,22(34)31-18-10-11-18)16-9-12-20(15-5-2-1-3-6-15)21(14-16)33-23(35)32-19-8-4-7-17(13-19)25(28,29)30/h1-9,12-14,18H,10-11H2,(H,31,34)(H2,32,33,35)
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Chia Tai Tianqing Pharmaceutical Group Co., Ltd.; Lianyungang Runzhong Pharmaceutical Co., Ltd.; Centaurus Biopharma Co., Ltd.

US Patent


Assay Description
The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre...


US Patent US10155722 (2018)

More data for this
Ligand-Target Pair
IDH2 (R172K, 40-end)


(Homo sapiens (Human))
BDBM310947
PNG
(US10155722, Example 28)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(CNC(=O)C3CC3)ccc2-c2ccsc2)c1
Show InChI InChI=1S/C23H20F3N3O2S/c24-23(25,26)17-2-1-3-18(11-17)28-22(31)29-20-10-14(12-27-21(30)15-5-6-15)4-7-19(20)16-8-9-32-13-16/h1-4,7-11,13,15H,5-6,12H2,(H,27,30)(H2,28,29,31)
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Chia Tai Tianqing Pharmaceutical Group Co., Ltd.; Lianyungang Runzhong Pharmaceutical Co., Ltd.; Centaurus Biopharma Co., Ltd.

US Patent


Assay Description
The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre...


US Patent US10155722 (2018)

More data for this
Ligand-Target Pair
IDH2 (R172K, 40-end)


(Homo sapiens (Human))
BDBM310933
PNG
(US10155722, Example 4)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)C(F)(F)C(=O)NC2(CC2)C#N)c1
Show InChI InChI=1S/C24H17F5N4O2S/c25-23(26,20(34)33-22(13-30)7-8-22)15-4-5-18(14-6-9-36-12-14)19(11-15)32-21(35)31-17-3-1-2-16(10-17)24(27,28)29/h1-6,9-12H,7-8H2,(H,33,34)(H2,31,32,35)
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n/an/a 56.5n/an/an/an/an/an/a



Chia Tai Tianqing Pharmaceutical Group Co., Ltd.; Lianyungang Runzhong Pharmaceutical Co., Ltd.; Centaurus Biopharma Co., Ltd.

US Patent


Assay Description
The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre...


US Patent US10155722 (2018)

More data for this
Ligand-Target Pair
IDH2 (R172K, 40-end)


(Homo sapiens (Human))
BDBM310931
PNG
(US10155722, Example 3)
Show SMILES CC(C)NC(=O)C(F)(F)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C23H20F5N3O2S/c1-13(2)29-20(32)22(24,25)15-6-7-18(14-8-9-34-12-14)19(11-15)31-21(33)30-17-5-3-4-16(10-17)23(26,27)28/h3-13H,1-2H3,(H,29,32)(H2,30,31,33)
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Chia Tai Tianqing Pharmaceutical Group Co., Ltd.; Lianyungang Runzhong Pharmaceutical Co., Ltd.; Centaurus Biopharma Co., Ltd.

US Patent


Assay Description
The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre...


US Patent US10155722 (2018)

More data for this
Ligand-Target Pair
IDH2 (R172K, 40-end)


(Homo sapiens (Human))
BDBM310944
PNG
(US10155722, Example 15)
Show SMILES CC(C)(C(=O)NC1CC1)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C25H24F3N3O2S/c1-24(2,22(32)29-18-7-8-18)16-6-9-20(15-10-11-34-14-15)21(13-16)31-23(33)30-19-5-3-4-17(12-19)25(26,27)28/h3-6,9-14,18H,7-8H2,1-2H3,(H,29,32)(H2,30,31,33)
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n/an/a 65.7n/an/an/an/an/an/a



Chia Tai Tianqing Pharmaceutical Group Co., Ltd.; Lianyungang Runzhong Pharmaceutical Co., Ltd.; Centaurus Biopharma Co., Ltd.

US Patent


Assay Description
The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre...


US Patent US10155722 (2018)

More data for this
Ligand-Target Pair
IDH2 (R172K, 40-end)


(Homo sapiens (Human))
BDBM310942
PNG
(US10155722, Example 14)
Show SMILES CC(C(=O)NC1CC1)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C24H22F3N3O2S/c1-14(22(31)28-18-6-7-18)15-5-8-20(16-9-10-33-13-16)21(11-15)30-23(32)29-19-4-2-3-17(12-19)24(25,26)27/h2-5,8-14,18H,6-7H2,1H3,(H,28,31)(H2,29,30,32)
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n/an/a 69.9n/an/an/an/an/an/a



Chia Tai Tianqing Pharmaceutical Group Co., Ltd.; Lianyungang Runzhong Pharmaceutical Co., Ltd.; Centaurus Biopharma Co., Ltd.

US Patent


Assay Description
The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre...


US Patent US10155722 (2018)

More data for this
Ligand-Target Pair
IDH2 (R172K, 40-end)


(Homo sapiens (Human))
BDBM310928
PNG
(US10155722, Example 16)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(CC(=O)NC3CC3)ccc2-c2ccsc2)c1
Show InChI InChI=1S/C23H20F3N3O2S/c24-23(25,26)16-2-1-3-18(12-16)28-22(31)29-20-10-14(11-21(30)27-17-5-6-17)4-7-19(20)15-8-9-32-13-15/h1-4,7-10,12-13,17H,5-6,11H2,(H,27,30)(H2,28,29,31)
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n/an/a 75.8n/an/an/an/an/an/a



Chia Tai Tianqing Pharmaceutical Group Co., Ltd.; Lianyungang Runzhong Pharmaceutical Co., Ltd.; Centaurus Biopharma Co., Ltd.

US Patent


Assay Description
The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre...


US Patent US10155722 (2018)

More data for this
Ligand-Target Pair
IDH2 (R172K, 40-end)


(Homo sapiens (Human))
BDBM310945
PNG
(US10155722, Example 27)
Show SMILES CC(NC(=O)C1CC1)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C24H22F3N3O2S/c1-14(28-22(31)15-5-6-15)16-7-8-20(17-9-10-33-13-17)21(11-16)30-23(32)29-19-4-2-3-18(12-19)24(25,26)27/h2-4,7-15H,5-6H2,1H3,(H,28,31)(H2,29,30,32)
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n/an/a 82.9n/an/an/an/an/an/a



Chia Tai Tianqing Pharmaceutical Group Co., Ltd.; Lianyungang Runzhong Pharmaceutical Co., Ltd.; Centaurus Biopharma Co., Ltd.

US Patent


Assay Description
The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre...


US Patent US10155722 (2018)

More data for this
Ligand-Target Pair
IDH2 (R172K, 40-end)


(Homo sapiens (Human))
BDBM310934
PNG
(US10155722, Example 19)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)C2(CCC2)C(=O)NC2CC2)c1
Show InChI InChI=1S/C26H24F3N3O2S/c27-26(28,29)18-3-1-4-20(13-18)31-24(34)32-22-14-17(5-8-21(22)16-9-12-35-15-16)25(10-2-11-25)23(33)30-19-6-7-19/h1,3-5,8-9,12-15,19H,2,6-7,10-11H2,(H,30,33)(H2,31,32,34)
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n/an/a 87.5n/an/an/an/an/an/a



Chia Tai Tianqing Pharmaceutical Group Co., Ltd.; Lianyungang Runzhong Pharmaceutical Co., Ltd.; Centaurus Biopharma Co., Ltd.

US Patent


Assay Description
The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre...


US Patent US10155722 (2018)

More data for this
Ligand-Target Pair
IDH2 (R172K, 40-end)


(Homo sapiens (Human))
BDBM310939
PNG
(US10155722, Example 13)
Show SMILES Cc1cc(-c2ccc(cc2NC(=O)Nc2cccc(c2)C(F)(F)F)C(F)(F)C(=O)NC2CC2)n(C)n1
Show InChI InChI=1S/C24H22F5N5O2/c1-13-10-20(34(2)33-13)18-9-6-14(23(25,26)21(35)30-16-7-8-16)12-19(18)32-22(36)31-17-5-3-4-15(11-17)24(27,28)29/h3-6,9-12,16H,7-8H2,1-2H3,(H,30,35)(H2,31,32,36)
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n/an/a 106n/an/an/an/an/an/a



Chia Tai Tianqing Pharmaceutical Group Co., Ltd.; Lianyungang Runzhong Pharmaceutical Co., Ltd.; Centaurus Biopharma Co., Ltd.

US Patent


Assay Description
The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre...


US Patent US10155722 (2018)

More data for this
Ligand-Target Pair
IDH2 (R172K, 40-end)


(Homo sapiens (Human))
BDBM310930
PNG
(US10155722, Example 17)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)C2(CC2)C(=O)NC2CC2)c1
Show InChI InChI=1S/C25H22F3N3O2S/c26-25(27,28)17-2-1-3-19(12-17)30-23(33)31-21-13-16(4-7-20(21)15-8-11-34-14-15)24(9-10-24)22(32)29-18-5-6-18/h1-4,7-8,11-14,18H,5-6,9-10H2,(H,29,32)(H2,30,31,33)
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n/an/a 138n/an/an/an/an/an/a



Chia Tai Tianqing Pharmaceutical Group Co., Ltd.; Lianyungang Runzhong Pharmaceutical Co., Ltd.; Centaurus Biopharma Co., Ltd.

US Patent


Assay Description
The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre...


US Patent US10155722 (2018)

More data for this
Ligand-Target Pair
IDH2 (R172K, 40-end)


(Homo sapiens (Human))
BDBM310943
PNG
(US10155722, Example 24)
Show SMILES CC(NC1CC1)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C23H22F3N3OS/c1-14(27-18-6-7-18)15-5-8-20(16-9-10-31-13-16)21(11-15)29-22(30)28-19-4-2-3-17(12-19)23(24,25)26/h2-5,8-14,18,27H,6-7H2,1H3,(H2,28,29,30)
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Chia Tai Tianqing Pharmaceutical Group Co., Ltd.; Lianyungang Runzhong Pharmaceutical Co., Ltd.; Centaurus Biopharma Co., Ltd.

US Patent


Assay Description
The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre...


US Patent US10155722 (2018)

More data for this
Ligand-Target Pair
IDH2 (R172K, 40-end)


(Homo sapiens (Human))
BDBM310936
PNG
(US10155722, Example 20)
Show SMILES CCC(C(=O)NC1CC1)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C25H24F3N3O2S/c1-2-20(23(32)29-18-7-8-18)15-6-9-21(16-10-11-34-14-16)22(12-15)31-24(33)30-19-5-3-4-17(13-19)25(26,27)28/h3-6,9-14,18,20H,2,7-8H2,1H3,(H,29,32)(H2,30,31,33)
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Chia Tai Tianqing Pharmaceutical Group Co., Ltd.; Lianyungang Runzhong Pharmaceutical Co., Ltd.; Centaurus Biopharma Co., Ltd.

US Patent


Assay Description
The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre...


US Patent US10155722 (2018)

More data for this
Ligand-Target Pair
IDH2 (R172K, 40-end)


(Homo sapiens (Human))
BDBM310937
PNG
(US10155722, Example 10)
Show SMILES Fc1ccc(NC(=O)Nc2cc(ccc2-c2ccsc2)C(F)(F)C(=O)NC2CC2)cc1C(F)(F)F
Show InChI InChI=1S/C23H17F6N3O2S/c24-18-6-4-15(10-17(18)23(27,28)29)31-21(34)32-19-9-13(1-5-16(19)12-7-8-35-11-12)22(25,26)20(33)30-14-2-3-14/h1,4-11,14H,2-3H2,(H,30,33)(H2,31,32,34)
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Chia Tai Tianqing Pharmaceutical Group Co., Ltd.; Lianyungang Runzhong Pharmaceutical Co., Ltd.; Centaurus Biopharma Co., Ltd.

US Patent


Assay Description
The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre...


US Patent US10155722 (2018)

More data for this
Ligand-Target Pair
IDH2 (R172K, 40-end)


(Homo sapiens (Human))
BDBM310940
PNG
(US10155722, Example 23)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)C(=O)NC2CC2)c1
Show InChI InChI=1S/C22H18F3N3O2S/c23-22(24,25)15-2-1-3-17(11-15)27-21(30)28-19-10-13(20(29)26-16-5-6-16)4-7-18(19)14-8-9-31-12-14/h1-4,7-12,16H,5-6H2,(H,26,29)(H2,27,28,30)
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n/an/a 551n/an/an/an/an/an/a



Chia Tai Tianqing Pharmaceutical Group Co., Ltd.; Lianyungang Runzhong Pharmaceutical Co., Ltd.; Centaurus Biopharma Co., Ltd.

US Patent


Assay Description
The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre...


US Patent US10155722 (2018)

More data for this
Ligand-Target Pair
IDH2 (R172K, 40-end)


(Homo sapiens (Human))
BDBM310938
PNG
(US10155722, Example 21)
Show SMILES NC(C(=O)NC1CC1)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C23H21F3N4O2S/c24-23(25,26)15-2-1-3-17(11-15)29-22(32)30-19-10-13(20(27)21(31)28-16-5-6-16)4-7-18(19)14-8-9-33-12-14/h1-4,7-12,16,20H,5-6,27H2,(H,28,31)(H2,29,30,32)
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n/an/a 622n/an/an/an/an/an/a



Chia Tai Tianqing Pharmaceutical Group Co., Ltd.; Lianyungang Runzhong Pharmaceutical Co., Ltd.; Centaurus Biopharma Co., Ltd.

US Patent


Assay Description
The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre...


US Patent US10155722 (2018)

More data for this
Ligand-Target Pair
IDH2 (R172K, 40-end)


(Homo sapiens (Human))
BDBM310932
PNG
(US10155722, Example 18)
Show SMILES CC(C)(C(=O)NC1CC1)c1ccc(-c2ccsc2)c(NC(=O)Nc2ccc3CNC(=O)c3c2)c1
Show InChI InChI=1S/C26H26N4O3S/c1-26(2,24(32)28-18-6-7-18)17-4-8-20(16-9-10-34-14-16)22(11-17)30-25(33)29-19-5-3-15-13-27-23(31)21(15)12-19/h3-5,8-12,14,18H,6-7,13H2,1-2H3,(H,27,31)(H,28,32)(H2,29,30,33)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.23E+3n/an/an/an/an/an/a



Chia Tai Tianqing Pharmaceutical Group Co., Ltd.; Lianyungang Runzhong Pharmaceutical Co., Ltd.; Centaurus Biopharma Co., Ltd.

US Patent


Assay Description
The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre...


US Patent US10155722 (2018)

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