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Patent code US9499561

Compile Data Set for Download or QSAR
Found 46 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
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM255600
PNG
(US9499561, 21)
Show SMILES C[C@@H](O)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2C)CC1
Show InChI InChI=1S/C23H30N8O3S/c1-14-17(11-25-22(24)26-14)19-20-18(27-23(28-19)31-7-9-34-10-8-31)16(13-35-20)12-29-3-5-30(6-4-29)21(33)15(2)32/h11,13,15,32H,3-10,12H2,1-2H3,(H2,24,25,26)/t15-/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM255606
PNG
(US9499561, 29)
Show SMILES Cc1sc2c(nc(nc2c1CN1CCN(CC1)C(=O)CO)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H28N8O3S/c1-14-16(12-28-2-4-29(5-3-28)17(32)13-31)19-20(34-14)18(15-10-24-21(23)25-11-15)26-22(27-19)30-6-8-33-9-7-30/h10-11,31H,2-9,12-13H2,1H3,(H2,23,24,25)
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n/an/a 7n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM255601
PNG
(US9499561, 24)
Show SMILES C[C@H](O)C(=O)N1CCN(Cc2c(C)sc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C23H30N8O3S/c1-14(32)21(33)30-5-3-29(4-6-30)13-17-15(2)35-20-18(16-11-25-22(24)26-12-16)27-23(28-19(17)20)31-7-9-34-10-8-31/h11-12,14,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t14-/m0/s1
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n/an/a 8.30n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM255590
PNG
(US9499561, 1)
Show SMILES CS(=O)(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C20H26N8O3S2/c1-33(29,30)28-4-2-26(3-5-28)12-15-13-32-18-16(14-10-22-19(21)23-11-14)24-20(25-17(15)18)27-6-8-31-9-7-27/h10-11,13H,2-9,12H2,1H3,(H2,21,22,23)
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n/an/a 9.5n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM255612
PNG
(US9499561, 22)
Show SMILES C[C@H](O)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2C)CC1
Show InChI InChI=1S/C23H30N8O3S/c1-14-17(11-25-22(24)26-14)19-20-18(27-23(28-19)31-7-9-34-10-8-31)16(13-35-20)12-29-3-5-30(6-4-29)21(33)15(2)32/h11,13,15,32H,3-10,12H2,1-2H3,(H2,24,25,26)/t15-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM255597
PNG
(US9499561, 18)
Show SMILES C[C@H](O)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C22H28N8O3S/c1-14(31)20(32)29-4-2-28(3-5-29)12-16-13-34-19-17(15-10-24-21(23)25-11-15)26-22(27-18(16)19)30-6-8-33-9-7-30/h10-11,13-14,31H,2-9,12H2,1H3,(H2,23,24,25)/t14-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM255597
PNG
(US9499561, 18)
Show SMILES C[C@H](O)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C22H28N8O3S/c1-14(31)20(32)29-4-2-28(3-5-29)12-16-13-34-19-17(15-10-24-21(23)25-11-15)26-22(27-18(16)19)30-6-8-33-9-7-30/h10-11,13-14,31H,2-9,12H2,1H3,(H2,23,24,25)/t14-/m0/s1
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n/an/a 12.6n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM255602
PNG
(US9499561, 25)
Show SMILES C[C@@H](O)C(=O)N1CCN(Cc2c(C)sc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C23H30N8O3S/c1-14(32)21(33)30-5-3-29(4-6-30)13-17-15(2)35-20-18(16-11-25-22(24)26-12-16)27-23(28-19(17)20)31-7-9-34-10-8-31/h11-12,14,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t14-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM255592
PNG
(US9499561, 11)
Show SMILES Cc1nc(N)ncc1-c1nc(nc2c(CN3CCN(CC3)S(C)(=O)=O)csc12)N1CCOCC1
Show InChI InChI=1S/C21H28N8O3S2/c1-14-16(11-23-20(22)24-14)18-19-17(25-21(26-18)28-7-9-32-10-8-28)15(13-33-19)12-27-3-5-29(6-4-27)34(2,30)31/h11,13H,3-10,12H2,1-2H3,(H2,22,23,24)
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n/an/a 13.1n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM255609
PNG
(US9499561, 23)
Show SMILES C[C@@H](O)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C25H29N7O3S/c1-16(33)24(34)31-7-5-30(6-8-31)14-17-15-36-23-21(17)27-25(32-9-11-35-12-10-32)28-22(23)18-3-2-4-20-19(18)13-26-29-20/h2-4,13,15-16,33H,5-12,14H2,1H3,(H,26,29)/t16-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM255606
PNG
(US9499561, 29)
Show SMILES Cc1sc2c(nc(nc2c1CN1CCN(CC1)C(=O)CO)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H28N8O3S/c1-14-16(12-28-2-4-29(5-3-28)17(32)13-31)19-20(34-14)18(15-10-24-21(23)25-11-15)26-22(27-19)30-6-8-33-9-7-30/h10-11,31H,2-9,12-13H2,1H3,(H2,23,24,25)
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n/an/a 18n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM255604
PNG
(US9499561, 27)
Show SMILES C[C@H](O)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C25H29N7O3S/c1-16(33)24(34)31-7-5-30(6-8-31)14-17-15-36-23-21(17)27-25(32-9-11-35-12-10-32)28-22(23)18-3-2-4-20-19(18)13-26-29-20/h2-4,13,15-16,33H,5-12,14H2,1H3,(H,26,29)/t16-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM255590
PNG
(US9499561, 1)
Show SMILES CS(=O)(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C20H26N8O3S2/c1-33(29,30)28-4-2-26(3-5-28)12-15-13-32-18-16(14-10-22-19(21)23-11-14)24-20(25-17(15)18)27-6-8-31-9-7-27/h10-11,13H,2-9,12H2,1H3,(H2,21,22,23)
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n/an/a 18n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM255601
PNG
(US9499561, 24)
Show SMILES C[C@H](O)C(=O)N1CCN(Cc2c(C)sc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C23H30N8O3S/c1-14(32)21(33)30-5-3-29(4-6-30)13-17-15(2)35-20-18(16-11-25-22(24)26-12-16)27-23(28-19(17)20)31-7-9-34-10-8-31/h11-12,14,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t14-/m0/s1
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n/an/a 18.9n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM255605
PNG
(US9499561, 28)
Show SMILES Nc1ncc(cn1)-c1nc(nc2c(CN3CCN(CC3)C(=O)CO)csc12)N1CCOCC1
Show InChI InChI=1S/C21H26N8O3S/c22-20-23-9-14(10-24-20)17-19-18(26-21(25-17)29-5-7-32-8-6-29)15(13-33-19)11-27-1-3-28(4-2-27)16(31)12-30/h9-10,13,30H,1-8,11-12H2,(H2,22,23,24)
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n/an/a 24n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM255607
PNG
(US9499561, 31)
Show SMILES Nc1ncc(cn1)-c1nc(nc2ccoc12)N1CCOCC1
Show InChI InChI=1S/C14H14N6O2/c15-13-16-7-9(8-17-13)11-12-10(1-4-22-12)18-14(19-11)20-2-5-21-6-3-20/h1,4,7-8H,2-3,5-6H2,(H2,15,16,17)
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n/an/a 26n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM255592
PNG
(US9499561, 11)
Show SMILES Cc1nc(N)ncc1-c1nc(nc2c(CN3CCN(CC3)S(C)(=O)=O)csc12)N1CCOCC1
Show InChI InChI=1S/C21H28N8O3S2/c1-14-16(11-23-20(22)24-14)18-19-17(25-21(26-18)28-7-9-32-10-8-28)15(13-33-19)12-27-3-5-29(6-4-27)34(2,30)31/h11,13H,3-10,12H2,1-2H3,(H2,22,23,24)
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n/an/a 28.3n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM255598
PNG
(US9499561, 19)
Show SMILES C[C@@H](O)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C22H28N8O3S/c1-14(31)20(32)29-4-2-28(3-5-29)12-16-13-34-19-17(15-10-24-21(23)25-11-15)26-22(27-18(16)19)30-6-8-33-9-7-30/h10-11,13-14,31H,2-9,12H2,1H3,(H2,23,24,25)/t14-/m1/s1
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n/an/a 31.9n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM255608
PNG
(US9499561, 32)
Show SMILES CN(CO)Cc1csc2c(nc(nc12)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C17H21N7O2S/c1-23(10-25)8-12-9-27-15-13(11-6-19-16(18)20-7-11)21-17(22-14(12)15)24-2-4-26-5-3-24/h6-7,9,25H,2-5,8,10H2,1H3,(H2,18,19,20)
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n/an/a 32n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


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More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM255600
PNG
(US9499561, 21)
Show SMILES C[C@@H](O)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2C)CC1
Show InChI InChI=1S/C23H30N8O3S/c1-14-17(11-25-22(24)26-14)19-20-18(27-23(28-19)31-7-9-34-10-8-31)16(13-35-20)12-29-3-5-30(6-4-29)21(33)15(2)32/h11,13,15,32H,3-10,12H2,1-2H3,(H2,24,25,26)/t15-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


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More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM255605
PNG
(US9499561, 28)
Show SMILES Nc1ncc(cn1)-c1nc(nc2c(CN3CCN(CC3)C(=O)CO)csc12)N1CCOCC1
Show InChI InChI=1S/C21H26N8O3S/c22-20-23-9-14(10-24-20)17-19-18(26-21(25-17)29-5-7-32-8-6-29)15(13-33-19)11-27-1-3-28(4-2-27)16(31)12-30/h9-10,13,30H,1-8,11-12H2,(H2,22,23,24)
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n/an/a 38n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM255603
PNG
(US9499561, 26)
Show SMILES OCC(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C24H27N7O3S/c32-14-20(33)30-6-4-29(5-7-30)13-16-15-35-23-21(16)26-24(31-8-10-34-11-9-31)27-22(23)17-2-1-3-19-18(17)12-25-28-19/h1-3,12,15,32H,4-11,13-14H2,(H,25,28)
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Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


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More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM255599
PNG
(US9499561, 20)
Show SMILES CC(C)(O)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C23H30N8O3S/c1-23(2,33)20(32)30-5-3-29(4-6-30)13-16-14-35-19-17(15-11-25-21(24)26-12-15)27-22(28-18(16)19)31-7-9-34-10-8-31/h11-12,14,33H,3-10,13H2,1-2H3,(H2,24,25,26)
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n/an/a 46.2n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


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More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM255598
PNG
(US9499561, 19)
Show SMILES C[C@@H](O)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C22H28N8O3S/c1-14(31)20(32)29-4-2-28(3-5-29)12-16-13-34-19-17(15-10-24-21(23)25-11-15)26-22(27-18(16)19)30-6-8-33-9-7-30/h10-11,13-14,31H,2-9,12H2,1H3,(H2,23,24,25)/t14-/m1/s1
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n/an/a 51.4n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


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More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM255599
PNG
(US9499561, 20)
Show SMILES CC(C)(O)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C23H30N8O3S/c1-23(2,33)20(32)30-5-3-29(4-6-30)13-16-14-35-19-17(15-11-25-21(24)26-12-15)27-22(28-18(16)19)31-7-9-34-10-8-31/h11-12,14,33H,3-10,13H2,1-2H3,(H2,24,25,26)
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Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM255602
PNG
(US9499561, 25)
Show SMILES C[C@@H](O)C(=O)N1CCN(Cc2c(C)sc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C23H30N8O3S/c1-14(32)21(33)30-5-3-29(4-6-30)13-17-15(2)35-20-18(16-11-25-22(24)26-12-16)27-23(28-19(17)20)31-7-9-34-10-8-31/h11-12,14,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t14-/m1/s1
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Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


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More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM255611
PNG
(US9499561, 36)
Show SMILES Cc1sc2c(nc(nc2c1CN1CCN(CCO)CC1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H30N8O2S/c1-15-17(14-29-4-2-28(3-5-29)6-9-31)19-20(33-15)18(16-12-24-21(23)25-13-16)26-22(27-19)30-7-10-32-11-8-30/h12-13,31H,2-11,14H2,1H3,(H2,23,24,25)
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Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


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More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM255591
PNG
(US9499561, 6)
Show SMILES CS(=O)(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)14-16-15-34-22-20(16)25-23(29-9-11-33-12-10-29)26-21(22)17-3-2-4-19-18(17)13-24-27-19/h2-4,13,15H,5-12,14H2,1H3,(H,24,27)
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Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


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More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM255610
PNG
(US9499561, 30)
Show SMILES Cc1sc2c(nc(nc2c1CN1CCN(CC1)S(C)(=O)=O)N1CCOCC1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C24H29N7O3S2/c1-16-19(15-29-6-8-31(9-7-29)36(2,32)33)22-23(35-16)21(17-4-3-5-20-18(17)14-25-28-20)26-24(27-22)30-10-12-34-13-11-30/h3-5,14H,6-13,15H2,1-2H3,(H,25,28)
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n/an/a 60.4n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM255591
PNG
(US9499561, 6)
Show SMILES CS(=O)(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)14-16-15-34-22-20(16)25-23(29-9-11-33-12-10-29)26-21(22)17-3-2-4-19-18(17)13-24-27-19/h2-4,13,15H,5-12,14H2,1H3,(H,24,27)
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Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM255596
PNG
(US9499561, 17)
Show SMILES CC(C)(O)C1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C23H31N7O2S/c1-23(2,31)17-3-5-29(6-4-17)13-16-14-33-20-18(15-11-25-21(24)26-12-15)27-22(28-19(16)20)30-7-9-32-10-8-30/h11-12,14,17,31H,3-10,13H2,1-2H3,(H2,24,25,26)
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Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


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More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM255604
PNG
(US9499561, 27)
Show SMILES C[C@H](O)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C25H29N7O3S/c1-16(33)24(34)31-7-5-30(6-8-31)14-17-15-36-23-21(17)27-25(32-9-11-35-12-10-32)28-22(23)18-3-2-4-20-19(18)13-26-29-20/h2-4,13,15-16,33H,5-12,14H2,1H3,(H,26,29)/t16-/m0/s1
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Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM255612
PNG
(US9499561, 22)
Show SMILES C[C@H](O)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2C)CC1
Show InChI InChI=1S/C23H30N8O3S/c1-14-17(11-25-22(24)26-14)19-20-18(27-23(28-19)31-7-9-34-10-8-31)16(13-35-20)12-29-3-5-30(6-4-29)21(33)15(2)32/h11,13,15,32H,3-10,12H2,1-2H3,(H2,24,25,26)/t15-/m0/s1
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Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM255595
PNG
(US9499561, 15)
Show SMILES CS(=O)(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cncnc2)CC1
Show InChI InChI=1S/C20H25N7O3S2/c1-32(28,29)27-4-2-25(3-5-27)12-16-13-31-19-17(15-10-21-14-22-11-15)23-20(24-18(16)19)26-6-8-30-9-7-26/h10-11,13-14H,2-9,12H2,1H3
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Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM255608
PNG
(US9499561, 32)
Show SMILES CN(CO)Cc1csc2c(nc(nc12)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C17H21N7O2S/c1-23(10-25)8-12-9-27-15-13(11-6-19-16(18)20-7-11)21-17(22-14(12)15)24-2-4-26-5-3-24/h6-7,9,25H,2-5,8,10H2,1H3,(H2,18,19,20)
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Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM255603
PNG
(US9499561, 26)
Show SMILES OCC(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C24H27N7O3S/c32-14-20(33)30-6-4-29(5-7-30)13-16-15-35-23-21(16)26-24(31-8-10-34-11-9-31)27-22(23)17-2-1-3-19-18(17)12-25-28-19/h1-3,12,15,32H,4-11,13-14H2,(H,25,28)
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n/an/a 141n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM255611
PNG
(US9499561, 36)
Show SMILES Cc1sc2c(nc(nc2c1CN1CCN(CCO)CC1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H30N8O2S/c1-15-17(14-29-4-2-28(3-5-29)6-9-31)19-20(33-15)18(16-12-24-21(23)25-13-16)26-22(27-19)30-7-10-32-11-8-30/h12-13,31H,2-11,14H2,1H3,(H2,23,24,25)
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Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


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More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM255593
PNG
(US9499561, 12)
Show SMILES CS(=O)(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2ccc(N)nc2)CC1
Show InChI InChI=1S/C21H27N7O3S2/c1-33(29,30)28-6-4-26(5-7-28)13-16-14-32-20-18(15-2-3-17(22)23-12-15)24-21(25-19(16)20)27-8-10-31-11-9-27/h2-3,12,14H,4-11,13H2,1H3,(H2,22,23)
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Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


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More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM255595
PNG
(US9499561, 15)
Show SMILES CS(=O)(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cncnc2)CC1
Show InChI InChI=1S/C20H25N7O3S2/c1-32(28,29)27-4-2-25(3-5-27)12-16-13-31-19-17(15-10-21-14-22-11-15)23-20(24-18(16)19)26-6-8-30-9-7-26/h10-11,13-14H,2-9,12H2,1H3
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n/an/a 200n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


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More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM255609
PNG
(US9499561, 23)
Show SMILES C[C@@H](O)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C25H29N7O3S/c1-16(33)24(34)31-7-5-30(6-8-31)14-17-15-36-23-21(17)27-25(32-9-11-35-12-10-32)28-22(23)18-3-2-4-20-19(18)13-26-29-20/h2-4,13,15-16,33H,5-12,14H2,1H3,(H,26,29)/t16-/m1/s1
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n/an/a 202n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM255593
PNG
(US9499561, 12)
Show SMILES CS(=O)(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2ccc(N)nc2)CC1
Show InChI InChI=1S/C21H27N7O3S2/c1-33(29,30)28-6-4-26(5-7-28)13-16-14-32-20-18(15-2-3-17(22)23-12-15)24-21(25-19(16)20)27-8-10-31-11-9-27/h2-3,12,14H,4-11,13H2,1H3,(H2,22,23)
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Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM255596
PNG
(US9499561, 17)
Show SMILES CC(C)(O)C1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C23H31N7O2S/c1-23(2,31)17-3-5-29(6-4-17)13-16-14-33-20-18(15-11-25-21(24)26-12-15)27-22(28-19(16)20)30-7-9-32-10-8-30/h11-12,14,17,31H,3-10,13H2,1-2H3,(H2,24,25,26)
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Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM255610
PNG
(US9499561, 30)
Show SMILES Cc1sc2c(nc(nc2c1CN1CCN(CC1)S(C)(=O)=O)N1CCOCC1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C24H29N7O3S2/c1-16-19(15-29-6-8-31(9-7-29)36(2,32)33)22-23(35-16)21(17-4-3-5-20-18(17)14-25-28-20)26-24(27-22)30-10-12-34-13-11-30/h3-5,14H,6-13,15H2,1-2H3,(H,25,28)
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Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM255594
PNG
(US9499561, 13)
Show SMILES CS(=O)(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cccc(O)c2)CC1
Show InChI InChI=1S/C22H27N5O4S2/c1-33(29,30)27-7-5-25(6-8-27)14-17-15-32-21-19(16-3-2-4-18(28)13-16)23-22(24-20(17)21)26-9-11-31-12-10-26/h2-4,13,15,28H,5-12,14H2,1H3
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Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM255607
PNG
(US9499561, 31)
Show SMILES Nc1ncc(cn1)-c1nc(nc2ccoc12)N1CCOCC1
Show InChI InChI=1S/C14H14N6O2/c15-13-16-7-9(8-17-13)11-12-10(1-4-22-12)18-14(19-11)20-2-5-21-6-3-20/h1,4,7-8H,2-3,5-6H2,(H2,15,16,17)
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Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM255594
PNG
(US9499561, 13)
Show SMILES CS(=O)(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cccc(O)c2)CC1
Show InChI InChI=1S/C22H27N5O4S2/c1-33(29,30)27-7-5-25(6-8-27)14-17-15-32-21-19(16-3-2-4-18(28)13-16)23-22(24-20(17)21)26-9-11-31-12-10-26/h2-4,13,15,28H,5-12,14H2,1H3
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Shanghai Yingli Pharmaceutical Co., Ltd.

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS. 2. Compound was formulated in 100% DMSO in a conc...


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