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Patent code US9834548

Compile Data Set for Download or QSAR

Found 407 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
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362320
PNG
(US9834548, Example 109)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cccc4[nH]ccc34)c(nn2)C(N)=O)cc1
Show InChI InChI=1S/C26H28N8O2/c1-17(35)33-11-13-34(14-12-33)20-7-5-19(6-8-20)30-24-15-23(25(26(27)36)32-31-24)29-16-18-3-2-4-22-21(18)9-10-28-22/h2-10,15,28H,11-14,16H2,1H3,(H2,27,36)(H2,29,30,31)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362344
PNG
(US9834548, Example 133)
Show SMILES CN(C)C(=O)N1CCC(Cn2cc(Nc3cc(NCc4cccc(F)c4F)c(nn3)C(N)=O)cn2)CC1
Show InChI InChI=1S/C24H29F2N9O2/c1-33(2)24(37)34-8-6-15(7-9-34)13-35-14-17(12-29-35)30-20-10-19(22(23(27)36)32-31-20)28-11-16-4-3-5-18(25)21(16)26/h3-5,10,12,14-15H,6-9,11,13H2,1-2H3,(H2,27,36)(H2,28,30,31)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362292
PNG
(US9834548, Example 83)
Show SMILES NC(=O)c1nnc(Nc2ccc(cc2)C(=O)N2CCCC2)cc1NCc1cccc(F)c1F
Show InChI InChI=1S/C23H22F2N6O2/c24-17-5-3-4-15(20(17)25)13-27-18-12-19(29-30-21(18)22(26)32)28-16-8-6-14(7-9-16)23(33)31-10-1-2-11-31/h3-9,12H,1-2,10-11,13H2,(H2,26,32)(H2,27,28,29)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362298
PNG
(US9834548, Example 89)
Show SMILES CS(=O)(=O)Cc1ccc(Nc2cc(NCc3cccc(F)c3F)c(nn2)C(N)=O)cc1
Show InChI InChI=1S/C20H19F2N5O3S/c1-31(29,30)11-12-5-7-14(8-6-12)25-17-9-16(19(20(23)28)27-26-17)24-10-13-3-2-4-15(21)18(13)22/h2-9H,10-11H2,1H3,(H2,23,28)(H2,24,25,26)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362308
PNG
(US9834548, Example 97)
Show SMILES NC(=O)c1nnc(Nc2cnccn2)cc1NC1CCN(CC1)c1ccc(cn1)C#N
Show InChI InChI=1S/C20H20N10O/c21-10-13-1-2-18(25-11-13)30-7-3-14(4-8-30)26-15-9-16(28-29-19(15)20(22)31)27-17-12-23-5-6-24-17/h1-2,5-6,9,11-12,14H,3-4,7-8H2,(H2,22,31)(H2,24,26,27,28)
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n/an/a 5.5n/an/an/an/an/an/a



Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362204
PNG
(US9834548, Example 18)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3ccccc3F)c(nn2)C(N)=O)cc1
Show InChI InChI=1S/C24H26FN7O2/c1-16(33)31-10-12-32(13-11-31)19-8-6-18(7-9-19)28-22-14-21(23(24(26)34)30-29-22)27-15-17-4-2-3-5-20(17)25/h2-9,14H,10-13,15H2,1H3,(H2,26,34)(H2,27,28,29)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362278
PNG
(US9834548, Example 73)
Show SMILES NC(=O)c1nnc(Nc2ccc(cn2)C(=O)N2CCCC2)cc1NCc1cccc(F)c1
Show InChI InChI=1S/C22H22FN7O2/c23-16-5-3-4-14(10-16)12-25-17-11-19(28-29-20(17)21(24)31)27-18-7-6-15(13-26-18)22(32)30-8-1-2-9-30/h3-7,10-11,13H,1-2,8-9,12H2,(H2,24,31)(H2,25,26,27,28)
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n/an/a 5.5n/an/an/an/an/an/a



Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362332
PNG
(US9834548, Example 121)
Show SMILES NC(=O)c1nnc(Nc2cnn(CC3CCOCC3)c2)cc1NCc1cccc2ccsc12
Show InChI InChI=1S/C23H25N7O2S/c24-23(31)21-19(25-11-17-3-1-2-16-6-9-33-22(16)17)10-20(28-29-21)27-18-12-26-30(14-18)13-15-4-7-32-8-5-15/h1-3,6,9-10,12,14-15H,4-5,7-8,11,13H2,(H2,24,31)(H2,25,27,28)
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n/an/a 5.5n/an/an/an/an/an/a



Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362335
PNG
(US9834548, Example 124)
Show SMILES NC(=O)c1nnc(Nc2cnn(CC3CCOCC3)c2)cc1NCc1cccc(F)c1F
Show InChI InChI=1S/C21H23F2N7O2/c22-16-3-1-2-14(19(16)23)9-25-17-8-18(28-29-20(17)21(24)31)27-15-10-26-30(12-15)11-13-4-6-32-7-5-13/h1-3,8,10,12-13H,4-7,9,11H2,(H2,24,31)(H2,25,27,28)
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n/an/a 5.5n/an/an/an/an/an/a



Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362339
PNG
(US9834548, Example 128)
Show SMILES CCC(=O)N1CCC(Cn2cc(Nc3cc(NCc4cccc5ccsc45)c(nn3)C(N)=O)cn2)CC1
Show InChI InChI=1S/C26H30N8O2S/c1-2-23(35)33-9-6-17(7-10-33)15-34-16-20(14-29-34)30-22-12-21(24(26(27)36)32-31-22)28-13-19-5-3-4-18-8-11-37-25(18)19/h3-5,8,11-12,14,16-17H,2,6-7,9-10,13,15H2,1H3,(H2,27,36)(H2,28,30,31)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362304
PNG
(US9834548, Example 94)
Show SMILES NC(=O)c1nnc(Nc2ccc(cc2)N2CCS(=O)(=O)CC2)cc1NCc1cccc(F)c1
Show InChI InChI=1S/C22H23FN6O3S/c23-16-3-1-2-15(12-16)14-25-19-13-20(27-28-21(19)22(24)30)26-17-4-6-18(7-5-17)29-8-10-33(31,32)11-9-29/h1-7,12-13H,8-11,14H2,(H2,24,30)(H2,25,26,27)
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n/an/a 5.5n/an/an/an/an/an/a



Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362336
PNG
(US9834548, Example 125)
Show SMILES CC(=O)N1CCC(Cn2cc(Nc3cc(NCc4cccc5ccsc45)c(nn3)C(N)=O)cn2)CC1
Show InChI InChI=1S/C25H28N8O2S/c1-16(34)32-8-5-17(6-9-32)14-33-15-20(13-28-33)29-22-11-21(23(25(26)35)31-30-22)27-12-19-4-2-3-18-7-10-36-24(18)19/h2-4,7,10-11,13,15,17H,5-6,8-9,12,14H2,1H3,(H2,26,35)(H2,27,29,30)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM362308
PNG
(US9834548, Example 97)
Show SMILES NC(=O)c1nnc(Nc2cnccn2)cc1NC1CCN(CC1)c1ccc(cn1)C#N
Show InChI InChI=1S/C20H20N10O/c21-10-13-1-2-18(25-11-13)30-7-3-14(4-8-30)26-15-9-16(28-29-19(15)20(22)31)27-17-12-23-5-6-24-17/h1-2,5-6,9,11-12,14H,3-4,7-8H2,(H2,22,31)(H2,24,26,27,28)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362223
PNG
(US9834548, Example 31)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cc(F)cc(F)c3)c(nn2)C(N)=O)cc1
Show InChI InChI=1S/C25H27F2N7O2/c1-2-23(35)34-9-7-33(8-10-34)20-5-3-19(4-6-20)30-22-14-21(24(25(28)36)32-31-22)29-15-16-11-17(26)13-18(27)12-16/h3-6,11-14H,2,7-10,15H2,1H3,(H2,28,36)(H2,29,30,31)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362323
PNG
(US9834548, Example 112)
Show SMILES CC(C)n1cc(Nc2cc(NCc3cccc4ccsc34)c(nn2)C(N)=O)cn1
Show InChI InChI=1S/C20H21N7OS/c1-12(2)27-11-15(10-23-27)24-17-8-16(18(20(21)28)26-25-17)22-9-14-5-3-4-13-6-7-29-19(13)14/h3-8,10-12H,9H2,1-2H3,(H2,21,28)(H2,22,24,25)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362324
PNG
(US9834548, Example 113)
Show SMILES CC(C)n1cc(Nc2cc(NCc3c(F)cccc3F)c(nn2)C(N)=O)cn1
Show InChI InChI=1S/C18H19F2N7O/c1-10(2)27-9-11(7-23-27)24-16-6-15(17(18(21)28)26-25-16)22-8-12-13(19)4-3-5-14(12)20/h3-7,9-10H,8H2,1-2H3,(H2,21,28)(H2,22,24,25)
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n/an/a 5.5n/an/an/an/an/an/a



Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362208
PNG
(US9834548, Example 20)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cc(F)cc(F)c3)c(nn2)C(N)=O)cc1
Show InChI InChI=1S/C24H25F2N7O2/c1-15(34)32-6-8-33(9-7-32)20-4-2-19(3-5-20)29-22-13-21(23(24(27)35)31-30-22)28-14-16-10-17(25)12-18(26)11-16/h2-5,10-13H,6-9,14H2,1H3,(H2,27,35)(H2,28,29,30)
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n/an/a 5.5n/an/an/an/an/an/a



Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362213
PNG
(US9834548, Example 23)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3ccccc3C)c(nn2)C(N)=O)cc1
Show InChI InChI=1S/C25H29N7O2/c1-17-5-3-4-6-19(17)16-27-22-15-23(29-30-24(22)25(26)34)28-20-7-9-21(10-8-20)32-13-11-31(12-14-32)18(2)33/h3-10,15H,11-14,16H2,1-2H3,(H2,26,34)(H2,27,28,29)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362220
PNG
(US9834548, Example 28)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3ccccc3F)c(nn2)C(N)=O)nc1
Show InChI InChI=1S/C23H25FN8O2/c1-15(33)31-8-10-32(11-9-31)17-6-7-20(27-14-17)28-21-12-19(22(23(25)34)30-29-21)26-13-16-4-2-3-5-18(16)24/h2-7,12,14H,8-11,13H2,1H3,(H2,25,34)(H2,26,27,28,29)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362291
PNG
(US9834548, Example 82)
Show SMILES NC(=O)c1nnc(Nc2ccc(cc2)C(=O)N2CCCC2)cc1NCc1cc(F)cc(F)c1
Show InChI InChI=1S/C23H22F2N6O2/c24-16-9-14(10-17(25)11-16)13-27-19-12-20(29-30-21(19)22(26)32)28-18-5-3-15(4-6-18)23(33)31-7-1-2-8-31/h3-6,9-12H,1-2,7-8,13H2,(H2,26,32)(H2,27,28,29)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362333
PNG
(US9834548, Example 122)
Show SMILES CCn1cc(Nc2cc(NCc3cccc4ccsc34)c(nn2)C(N)=O)cn1
Show InChI InChI=1S/C19H19N7OS/c1-2-26-11-14(10-22-26)23-16-8-15(17(19(20)27)25-24-16)21-9-13-5-3-4-12-6-7-28-18(12)13/h3-8,10-11H,2,9H2,1H3,(H2,20,27)(H2,21,23,24)
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n/an/a 5.5n/an/an/an/an/an/a



Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362340
PNG
(US9834548, Example 129)
Show SMILES CCC(=O)N1CCC(Cn2cc(Nc3cc(NCc4cccc(F)c4F)c(nn3)C(N)=O)cn2)CC1
Show InChI InChI=1S/C24H28F2N8O2/c1-2-21(35)33-8-6-15(7-9-33)13-34-14-17(12-29-34)30-20-10-19(23(24(27)36)32-31-20)28-11-16-4-3-5-18(25)22(16)26/h3-5,10,12,14-15H,2,6-9,11,13H2,1H3,(H2,27,36)(H2,28,30,31)
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n/an/a 5.5n/an/an/an/an/an/a



Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362226
PNG
(US9834548, Example 33)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3c(F)cccc3F)c(nn2)C(N)=O)cc1
Show InChI InChI=1S/C25H27F2N7O2/c1-2-23(35)34-12-10-33(11-13-34)17-8-6-16(7-9-17)30-22-14-21(24(25(28)36)32-31-22)29-15-18-19(26)4-3-5-20(18)27/h3-9,14H,2,10-13,15H2,1H3,(H2,28,36)(H2,29,30,31)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362238
PNG
(US9834548, Example 42)
Show SMILES Cc1cc(Nc2cc(NCc3cccc(F)c3F)c(nn2)C(N)=O)ccc1C(=O)N1CCCC1
Show InChI InChI=1S/C24H24F2N6O2/c1-14-11-16(7-8-17(14)24(34)32-9-2-3-10-32)29-20-12-19(22(23(27)33)31-30-20)28-13-15-5-4-6-18(25)21(15)26/h4-8,11-12H,2-3,9-10,13H2,1H3,(H2,27,33)(H2,28,29,30)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362296
PNG
(US9834548, Example 87)
Show SMILES CS(=O)(=O)Cc1ccc(Nc2cc(NCc3c(F)cccc3F)c(nn2)C(N)=O)cc1
Show InChI InChI=1S/C20H19F2N5O3S/c1-31(29,30)11-12-5-7-13(8-6-12)25-18-9-17(19(20(23)28)27-26-18)24-10-14-15(21)3-2-4-16(14)22/h2-9H,10-11H2,1H3,(H2,23,28)(H2,24,25,26)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362297
PNG
(US9834548, Example 88)
Show SMILES CS(=O)(=O)Cc1ccc(Nc2cc(NCc3cc(F)ccc3F)c(nn2)C(N)=O)cc1
Show InChI InChI=1S/C20H19F2N5O3S/c1-31(29,30)11-12-2-5-15(6-3-12)25-18-9-17(19(20(23)28)27-26-18)24-10-13-8-14(21)4-7-16(13)22/h2-9H,10-11H2,1H3,(H2,23,28)(H2,24,25,26)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM362308
PNG
(US9834548, Example 97)
Show SMILES NC(=O)c1nnc(Nc2cnccn2)cc1NC1CCN(CC1)c1ccc(cn1)C#N
Show InChI InChI=1S/C20H20N10O/c21-10-13-1-2-18(25-11-13)30-7-3-14(4-8-30)26-15-9-16(28-29-19(15)20(22)31)27-17-12-23-5-6-24-17/h1-2,5-6,9,11-12,14H,3-4,7-8H2,(H2,22,31)(H2,24,26,27,28)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362311
PNG
(US9834548, Example 100)
Show SMILES CS(=O)(=O)Cc1ccc(Nc2cc(NCc3cccc4ccsc34)c(nn2)C(N)=O)cc1
Show InChI InChI=1S/C22H21N5O3S2/c1-32(29,30)13-14-5-7-17(8-6-14)25-19-11-18(20(22(23)28)27-26-19)24-12-16-4-2-3-15-9-10-31-21(15)16/h2-11H,12-13H2,1H3,(H2,23,28)(H2,24,25,26)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362207
PNG
(US9834548, Example 19)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)cc1
Show InChI InChI=1S/C24H26FN7O2/c1-16(33)31-9-11-32(12-10-31)20-7-5-19(6-8-20)28-22-14-21(23(24(26)34)30-29-22)27-15-17-3-2-4-18(25)13-17/h2-8,13-14H,9-12,15H2,1H3,(H2,26,34)(H2,27,28,29)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362225
PNG
(US9834548, Example 32)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cc(F)ccc3F)c(nn2)C(N)=O)cc1
Show InChI InChI=1S/C25H27F2N7O2/c1-2-23(35)34-11-9-33(10-12-34)19-6-4-18(5-7-19)30-22-14-21(24(25(28)36)32-31-22)29-15-16-13-17(26)3-8-20(16)27/h3-8,13-14H,2,9-12,15H2,1H3,(H2,28,36)(H2,29,30,31)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362234
PNG
(US9834548, Example 39)
Show SMILES NC(=O)c1nnc(Nc2ccc(cc2)N2CCOCC2)cc1NCc1c(F)cccc1F
Show InChI InChI=1S/C22H22F2N6O2/c23-17-2-1-3-18(24)16(17)13-26-19-12-20(28-29-21(19)22(25)31)27-14-4-6-15(7-5-14)30-8-10-32-11-9-30/h1-7,12H,8-11,13H2,(H2,25,31)(H2,26,27,28)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362266
PNG
(US9834548, Example 61)
Show SMILES Cc1cc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)ccc1C(=O)N1CCCC1
Show InChI InChI=1S/C24H25FN6O2/c1-15-11-18(7-8-19(15)24(33)31-9-2-3-10-31)28-21-13-20(22(23(26)32)30-29-21)27-14-16-5-4-6-17(25)12-16/h4-8,11-13H,2-3,9-10,14H2,1H3,(H2,26,32)(H2,27,28,29)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362269
PNG
(US9834548, Example 64)
Show SMILES NC(=O)c1nnc(Nc2ccc(cn2)N2CCOCC2)cc1NCc1cccc(F)c1
Show InChI InChI=1S/C21H22FN7O2/c22-15-3-1-2-14(10-15)12-24-17-11-19(27-28-20(17)21(23)30)26-18-5-4-16(13-25-18)29-6-8-31-9-7-29/h1-5,10-11,13H,6-9,12H2,(H2,23,30)(H2,24,25,26,27)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362337
PNG
(US9834548, Example 126)
Show SMILES CC(=O)N1CCC(Cn2cc(Nc3cc(NCc4cccc(F)c4F)c(nn3)C(N)=O)cn2)CC1
Show InChI InChI=1S/C23H26F2N8O2/c1-14(34)32-7-5-15(6-8-32)12-33-13-17(11-28-33)29-20-9-19(22(23(26)35)31-30-20)27-10-16-3-2-4-18(24)21(16)25/h2-4,9,11,13,15H,5-8,10,12H2,1H3,(H2,26,35)(H2,27,29,30)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362309
PNG
(US9834548, Example 98)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cccc4ccsc34)c(nn2)C(N)=O)cc1
Show InChI InChI=1S/C26H27N7O2S/c1-17(34)32-10-12-33(13-11-32)21-7-5-20(6-8-21)29-23-15-22(24(26(27)35)31-30-23)28-16-19-4-2-3-18-9-14-36-25(18)19/h2-9,14-15H,10-13,16H2,1H3,(H2,27,35)(H2,28,29,30)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362321
PNG
(US9834548, Example 110)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cccc4[nH]ccc34)c(nn2)C(N)=O)cc1
Show InChI InChI=1S/C27H30N8O2/c1-2-25(36)35-14-12-34(13-15-35)20-8-6-19(7-9-20)31-24-16-23(26(27(28)37)33-32-24)30-17-18-4-3-5-22-21(18)10-11-29-22/h3-11,16,29H,2,12-15,17H2,1H3,(H2,28,37)(H2,30,31,32)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362310
PNG
(US9834548, Example 99)
Show SMILES NC(=O)c1nnc(Nc2ccc(cc2)N2CCNCC2)cc1NCc1cccc2ccsc12
Show InChI InChI=1S/C24H25N7OS/c25-24(32)22-20(27-15-17-3-1-2-16-8-13-33-23(16)17)14-21(29-30-22)28-18-4-6-19(7-5-18)31-11-9-26-10-12-31/h1-8,13-14,26H,9-12,15H2,(H2,25,32)(H2,27,28,29)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362228
PNG
(US9834548, Example 34)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cccc(F)c3F)c(nn2)C(N)=O)cc1
Show InChI InChI=1S/C25H27F2N7O2/c1-2-22(35)34-12-10-33(11-13-34)18-8-6-17(7-9-18)30-21-14-20(24(25(28)36)32-31-21)29-15-16-4-3-5-19(26)23(16)27/h3-9,14H,2,10-13,15H2,1H3,(H2,28,36)(H2,29,30,31)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362303
PNG
(US9834548, Example 93)
Show SMILES CS(=O)(=O)Cc1ccc(Nc2cc(NC3CCN(CC3)c3ccc(cn3)C#N)c(nn2)C(N)=O)cc1
Show InChI InChI=1S/C24H26N8O3S/c1-36(34,35)15-16-2-5-18(6-3-16)29-21-12-20(23(24(26)33)31-30-21)28-19-8-10-32(11-9-19)22-7-4-17(13-25)14-27-22/h2-7,12,14,19H,8-11,15H2,1H3,(H2,26,33)(H2,28,29,30)
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n/an/a 55n/an/an/an/an/an/a



Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362314
PNG
(US9834548, Example 103)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3cc(ccc3F)-n3ccnc3)c(nn2)C(N)=O)cc1
Show InChI InChI=1S/C27H28FN9O2/c1-18(38)35-10-12-36(13-11-35)21-4-2-20(3-5-21)32-25-15-24(26(27(29)39)34-33-25)31-16-19-14-22(6-7-23(19)28)37-9-8-30-17-37/h2-9,14-15,17H,10-13,16H2,1H3,(H2,29,39)(H2,31,32,33)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM362220
PNG
(US9834548, Example 28)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2cc(NCc3ccccc3F)c(nn2)C(N)=O)nc1
Show InChI InChI=1S/C23H25FN8O2/c1-15(33)31-8-10-32(11-9-31)17-6-7-20(27-14-17)28-21-12-19(22(23(25)34)30-29-21)26-13-16-4-2-3-5-18(16)24/h2-7,12,14H,8-11,13H2,1H3,(H2,25,34)(H2,26,27,28,29)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362232
PNG
(US9834548, Example 38)
Show SMILES NC(=O)c1nnc(Nc2ccc(cc2)N2CCOCC2)cc1NCc1cccc(F)c1F
Show InChI InChI=1S/C22H22F2N6O2/c23-17-3-1-2-14(20(17)24)13-26-18-12-19(28-29-21(18)22(25)31)27-15-4-6-16(7-5-15)30-8-10-32-11-9-30/h1-7,12H,8-11,13H2,(H2,25,31)(H2,26,27,28)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM362238
PNG
(US9834548, Example 42)
Show SMILES Cc1cc(Nc2cc(NCc3cccc(F)c3F)c(nn2)C(N)=O)ccc1C(=O)N1CCCC1
Show InChI InChI=1S/C24H24F2N6O2/c1-14-11-16(7-8-17(14)24(34)32-9-2-3-10-32)29-20-12-19(22(23(27)33)31-30-20)28-13-15-5-4-6-18(25)21(15)26/h4-8,11-12H,2-3,9-10,13H2,1H3,(H2,27,33)(H2,28,29,30)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362260
PNG
(US9834548, Example 56)
Show SMILES NC(=O)c1nnc(Nc2cccc(OCCN3CCCC3)c2)cc1NCc1cccc(F)c1
Show InChI InChI=1S/C24H27FN6O2/c25-18-6-3-5-17(13-18)16-27-21-15-22(29-30-23(21)24(26)32)28-19-7-4-8-20(14-19)33-12-11-31-9-1-2-10-31/h3-8,13-15H,1-2,9-12,16H2,(H2,26,32)(H2,27,28,29)
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Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362265
PNG
(US9834548, Example 60)
Show SMILES CN(C)C(=O)c1ccc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)cc1C
Show InChI InChI=1S/C22H23FN6O2/c1-13-9-16(7-8-17(13)22(31)29(2)3)26-19-11-18(20(21(24)30)28-27-19)25-12-14-5-4-6-15(23)10-14/h4-11H,12H2,1-3H3,(H2,24,30)(H2,25,26,27)
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n/an/a 55n/an/an/an/an/an/a



Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM362279
PNG
(US9834548, Example 74)
Show SMILES CC(C)[C@H](Nc1cc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)nnc1C(N)=O)C(F)(F)F
Show InChI InChI=1/C22H28F3N7O2/c1-13(2)20(22(23,24)25)28-17-12-18(29-30-19(17)21(26)34)27-15-4-6-16(7-5-15)32-10-8-31(9-11-32)14(3)33/h4-7,12-13,20H,8-11H2,1-3H3,(H2,26,34)(H2,27,28,29)/t20-/s2
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n/an/a 55n/an/an/an/an/an/a



Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362294
PNG
(US9834548, Example 85)
Show SMILES CS(=O)(=O)Cc1ccc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)cc1
Show InChI InChI=1S/C20H20FN5O3S/c1-30(28,29)12-13-5-7-16(8-6-13)24-18-10-17(19(20(22)27)26-25-18)23-11-14-3-2-4-15(21)9-14/h2-10H,11-12H2,1H3,(H2,22,27)(H2,23,24,25)
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n/an/a 55n/an/an/an/an/an/a



Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362325
PNG
(US9834548, Example 114)
Show SMILES CC(C)n1cc(Nc2cc(NCc3cccc(F)c3F)c(nn2)C(N)=O)cn1
Show InChI InChI=1S/C18H19F2N7O/c1-10(2)27-9-12(8-23-27)24-15-6-14(17(18(21)28)26-25-15)22-7-11-4-3-5-13(19)16(11)20/h3-6,8-10H,7H2,1-2H3,(H2,21,28)(H2,22,24,25)
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n/an/a 55n/an/an/an/an/an/a



Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362328
PNG
(US9834548, Example 117)
Show SMILES NC(=O)c1nnc(Nc2cnn(CC3CC3)c2)cc1NCc1cccc2ccsc12
Show InChI InChI=1S/C21H21N7OS/c22-21(29)19-17(23-9-15-3-1-2-14-6-7-30-20(14)15)8-18(26-27-19)25-16-10-24-28(12-16)11-13-4-5-13/h1-3,6-8,10,12-13H,4-5,9,11H2,(H2,22,29)(H2,23,25,26)
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n/an/a 55n/an/an/an/an/an/a



Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362334
PNG
(US9834548, Example 123)
Show SMILES CCn1cc(Nc2cc(NCc3cccc(F)c3)c(nn2)C(N)=O)cn1
Show InChI InChI=1S/C17H18FN7O/c1-2-25-10-13(9-21-25)22-15-7-14(16(17(19)26)24-23-15)20-8-11-4-3-5-12(18)6-11/h3-7,9-10H,2,8H2,1H3,(H2,19,26)(H2,20,22,23)
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n/an/a 55n/an/an/an/an/an/a



Portola Pharmaceuticals, Inc.

US Patent




US Patent US9834548 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%