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Patent code US9556148

Compile Data Set for Download or QSAR
Found 86 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 JAK1


(Homo sapiens (Human))
BDBM234970
PNG
(US9556148, 41 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCCC2=O)nc1-c1ccc(cc1)C(=O)NCC#N
Show InChI InChI=1S/C29H31N7O2/c1-20-19-32-29(34-27(20)21-4-6-22(7-5-21)28(38)31-15-14-30)33-23-8-10-24(11-9-23)35-17-12-25(13-18-35)36-16-2-3-26(36)37/h4-11,19,25H,2-3,12-13,15-18H2,1H3,(H,31,38)(H,32,33,34)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234972
PNG
(US9556148, 43 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES Cc1nnc(o1)C1CCN(CC1)c1ccc(Nc2ncc(C)c(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Show InChI InChI=1S/C28H28N8O2/c1-18-17-31-28(33-25(18)20-3-5-21(6-4-20)26(37)30-14-13-29)32-23-7-9-24(10-8-23)36-15-11-22(12-16-36)27-35-34-19(2)38-27/h3-10,17,22H,11-12,14-16H2,1-2H3,(H,30,37)(H,31,32,33)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234969
PNG
(US9556148, 40 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCOCC2)nc1-c1ccc(cc1)C(=O)NCC#N
Show InChI InChI=1S/C29H33N7O2/c1-21-20-32-29(34-27(21)22-2-4-23(5-3-22)28(37)31-13-12-30)33-24-6-8-25(9-7-24)35-14-10-26(11-15-35)36-16-18-38-19-17-36/h2-9,20,26H,10-11,13-19H2,1H3,(H,31,37)(H,32,33,34)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234967
PNG
(US9556148, 38 | preparation of 4-(2-((4-(4-(8-oxa-...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2C3CCC2COC3)n1
Show InChI InChI=1S/C30H33N7O2/c31-14-16-32-29(38)22-3-1-21(2-4-22)28-11-15-33-30(35-28)34-23-5-7-24(8-6-23)36-17-12-25(13-18-36)37-26-9-10-27(37)20-39-19-26/h1-8,11,15,25-27H,9-10,12-13,16-20H2,(H,32,38)(H,33,34,35)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234971
PNG
(US9556148, 42 | preparation of 4-(2-((4-(4-(1-oxa-...)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCC3(CCCO3)CC2)nc1-c1ccc(cc1)C(=O)NCC#N
Show InChI InChI=1S/C33H39N7O2/c1-24-23-36-32(38-30(24)25-3-5-26(6-4-25)31(41)35-17-16-34)37-27-7-9-28(10-8-27)39-18-11-29(12-19-39)40-20-14-33(15-21-40)13-2-22-42-33/h3-10,23,29H,2,11-15,17-22H2,1H3,(H,35,41)(H,36,37,38)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234970
PNG
(US9556148, 41 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCCC2=O)nc1-c1ccc(cc1)C(=O)NCC#N
Show InChI InChI=1S/C29H31N7O2/c1-20-19-32-29(34-27(20)21-4-6-22(7-5-21)28(38)31-15-14-30)33-23-8-10-24(11-9-23)35-17-12-25(13-18-35)36-16-2-3-26(36)37/h4-11,19,25H,2-3,12-13,15-18H2,1H3,(H,31,38)(H,32,33,34)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234972
PNG
(US9556148, 43 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES Cc1nnc(o1)C1CCN(CC1)c1ccc(Nc2ncc(C)c(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Show InChI InChI=1S/C28H28N8O2/c1-18-17-31-28(33-25(18)20-3-5-21(6-4-20)26(37)30-14-13-29)32-23-7-9-24(10-8-23)36-15-11-22(12-16-36)27-35-34-19(2)38-27/h3-10,17,22H,11-12,14-16H2,1-2H3,(H,30,37)(H,31,32,33)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234969
PNG
(US9556148, 40 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCOCC2)nc1-c1ccc(cc1)C(=O)NCC#N
Show InChI InChI=1S/C29H33N7O2/c1-21-20-32-29(34-27(21)22-2-4-23(5-3-22)28(37)31-13-12-30)33-24-6-8-25(9-7-24)35-14-10-26(11-15-35)36-16-18-38-19-17-36/h2-9,20,26H,10-11,13-19H2,1H3,(H,31,37)(H,32,33,34)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234943
PNG
(US9556148, 2 | preparation of n-(cyanomethyl)-4-(2...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCCS2(=O)=O)n1
Show InChI InChI=1S/C27H29N7O3S/c28-13-15-29-26(35)21-4-2-20(3-5-21)25-10-14-30-27(32-25)31-22-6-8-23(9-7-22)33-17-11-24(12-18-33)34-16-1-19-38(34,36)37/h2-10,14,24H,1,11-12,15-19H2,(H,29,35)(H,30,31,32)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234971
PNG
(US9556148, 42 | preparation of 4-(2-((4-(4-(1-oxa-...)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCC3(CCCO3)CC2)nc1-c1ccc(cc1)C(=O)NCC#N
Show InChI InChI=1S/C33H39N7O2/c1-24-23-36-32(38-30(24)25-3-5-26(6-4-25)31(41)35-17-16-34)37-27-7-9-28(10-8-27)39-18-11-29(12-19-39)40-20-14-33(15-21-40)13-2-22-42-33/h3-10,23,29H,2,11-15,17-22H2,1H3,(H,35,41)(H,36,37,38)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234967
PNG
(US9556148, 38 | preparation of 4-(2-((4-(4-(8-oxa-...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2C3CCC2COC3)n1
Show InChI InChI=1S/C30H33N7O2/c31-14-16-32-29(38)22-3-1-21(2-4-22)28-11-15-33-30(35-28)34-23-5-7-24(8-6-23)36-17-12-25(13-18-36)37-26-9-10-27(37)20-39-19-26/h1-8,11,15,25-27H,9-10,12-13,16-20H2,(H,32,38)(H,33,34,35)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234973
PNG
(US9556148, 44 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES Fc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCOCC2)nc1-c1ccc(cc1)C(=O)NCC#N
Show InChI InChI=1S/C28H30FN7O2/c29-25-19-32-28(34-26(25)20-1-3-21(4-2-20)27(37)31-12-11-30)33-22-5-7-23(8-6-22)35-13-9-24(10-14-35)36-15-17-38-18-16-36/h1-8,19,24H,9-10,12-18H2,(H,31,37)(H,32,33,34)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234957
PNG
(US9556148, 24 | preparation of 4-(2-((4-(4-(1-oxa-...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCC3(CCCO3)CC2)n1
Show InChI InChI=1S/C32H37N7O2/c33-16-18-34-30(40)25-4-2-24(3-5-25)29-10-17-35-31(37-29)36-26-6-8-27(9-7-26)38-19-11-28(12-20-38)39-21-14-32(15-22-39)13-1-23-41-32/h2-10,17,28H,1,11-15,18-23H2,(H,34,40)(H,35,36,37)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234959
PNG
(US9556148, 27 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CC3OCCOC3C2)n1
Show InChI InChI=1S/C30H33N7O3/c31-12-14-32-29(38)22-3-1-21(2-4-22)26-9-13-33-30(35-26)34-23-5-7-24(8-6-23)36-15-10-25(11-16-36)37-19-27-28(20-37)40-18-17-39-27/h1-9,13,25,27-28H,10-11,14-20H2,(H,32,38)(H,33,34,35)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234957
PNG
(US9556148, 24 | preparation of 4-(2-((4-(4-(1-oxa-...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCC3(CCCO3)CC2)n1
Show InChI InChI=1S/C32H37N7O2/c33-16-18-34-30(40)25-4-2-24(3-5-25)29-10-17-35-31(37-29)36-26-6-8-27(9-7-26)38-19-11-28(12-20-38)39-21-14-32(15-22-39)13-1-23-41-32/h2-10,17,28H,1,11-15,18-23H2,(H,34,40)(H,35,36,37)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234968
PNG
(US9556148, 39 | preparation of 4-(2-((4-(4-(6-acet...)
Show SMILES CC(=O)N1C2CC1CN(C2)C1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Show InChI InChI=1S/C31H34N8O2/c1-21(40)39-27-18-28(39)20-38(19-27)26-11-16-37(17-12-26)25-8-6-24(7-9-25)35-31-34-14-10-29(36-31)22-2-4-23(5-3-22)30(41)33-15-13-32/h2-10,14,26-28H,11-12,15-20H2,1H3,(H,33,41)(H,34,35,36)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234943
PNG
(US9556148, 2 | preparation of n-(cyanomethyl)-4-(2...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCCS2(=O)=O)n1
Show InChI InChI=1S/C27H29N7O3S/c28-13-15-29-26(35)21-4-2-20(3-5-21)25-10-14-30-27(32-25)31-22-6-8-23(9-7-22)33-17-11-24(12-18-33)34-16-1-19-38(34,36)37/h2-10,14,24H,1,11-12,15-19H2,(H,29,35)(H,30,31,32)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234942
PNG
(US9556148, 1 | preparation of n-(cyanomethyl)-4-(2...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCCC2=O)n1
Show InChI InChI=1S/C28H29N7O2/c29-14-16-30-27(37)21-5-3-20(4-6-21)25-11-15-31-28(33-25)32-22-7-9-23(10-8-22)34-18-12-24(13-19-34)35-17-1-2-26(35)36/h3-11,15,24H,1-2,12-13,16-19H2,(H,30,37)(H,31,32,33)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234960
PNG
(US9556148, 28 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCC3(CCC(=O)O3)CC2)n1
Show InChI InChI=1S/C32H35N7O3/c33-16-18-34-30(41)24-3-1-23(2-4-24)28-10-17-35-31(37-28)36-25-5-7-26(8-6-25)38-19-11-27(12-20-38)39-21-14-32(15-22-39)13-9-29(40)42-32/h1-8,10,17,27H,9,11-15,18-22H2,(H,34,41)(H,35,36,37)
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n/an/a 6n/an/an/an/an/an/a



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234946
PNG
(US9556148, 3 | preparation of n-(cyanomethyl)-4-(2...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCOCC2)n1
Show InChI InChI=1S/C28H31N7O2/c29-12-14-30-27(36)22-3-1-21(2-4-22)26-9-13-31-28(33-26)32-23-5-7-24(8-6-23)34-15-10-25(11-16-34)35-17-19-37-20-18-35/h1-9,13,25H,10-11,14-20H2,(H,30,36)(H,31,32,33)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234973
PNG
(US9556148, 44 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES Fc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCOCC2)nc1-c1ccc(cc1)C(=O)NCC#N
Show InChI InChI=1S/C28H30FN7O2/c29-25-19-32-28(34-26(25)20-1-3-21(4-2-20)27(37)31-12-11-30)33-22-5-7-23(8-6-22)35-13-9-24(10-14-35)36-15-17-38-18-16-36/h1-8,19,24H,9-10,12-18H2,(H,31,37)(H,32,33,34)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234966
PNG
(US9556148, 36 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES Cc1nnc(o1)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Show InChI InChI=1S/C26H25N9O2/c1-18-32-33-26(37-18)35-16-14-34(15-17-35)22-8-6-21(7-9-22)30-25-29-12-10-23(31-25)19-2-4-20(5-3-19)24(36)28-13-11-27/h2-10,12H,13-17H2,1H3,(H,28,36)(H,29,30,31)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234956
PNG
(US9556148, 19 | preparation of 4-(2-((4-(4-(1,3,4-...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)c2nnco2)n1
Show InChI InChI=1S/C26H24N8O2/c27-12-14-28-24(35)19-3-1-18(2-4-19)23-9-13-29-26(32-23)31-21-5-7-22(8-6-21)34-15-10-20(11-16-34)25-33-30-17-36-25/h1-9,13,17,20H,10-11,14-16H2,(H,28,35)(H,29,31,32)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234958
PNG
(US9556148, 25 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES Cc1nnc(o1)C1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Show InChI InChI=1S/C27H26N8O2/c1-18-33-34-26(37-18)21-11-16-35(17-12-21)23-8-6-22(7-9-23)31-27-30-14-10-24(32-27)19-2-4-20(5-3-19)25(36)29-15-13-28/h2-10,14,21H,11-12,15-17H2,1H3,(H,29,36)(H,30,31,32)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234951
PNG
(US9556148, 9 | preparation of n-(cyanomethyl)-4-(2...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C2CCS(=O)(=O)C2)n1
Show InChI InChI=1S/C27H29N7O3S/c28-11-13-29-26(35)21-3-1-20(2-4-21)25-9-12-30-27(32-25)31-22-5-7-23(8-6-22)33-14-16-34(17-15-33)24-10-18-38(36,37)19-24/h1-9,12,24H,10,13-19H2,(H,29,35)(H,30,31,32)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234954
PNG
(US9556148, 17 | preparation of 4-(2-((4-(4-(6-oxa-...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CC3CC(C2)O3)n1
Show InChI InChI=1S/C29H31N7O2/c30-12-14-31-28(37)21-3-1-20(2-4-21)27-9-13-32-29(34-27)33-22-5-7-23(8-6-22)35-15-10-24(11-16-35)36-18-25-17-26(19-36)38-25/h1-9,13,24-26H,10-11,14-19H2,(H,31,37)(H,32,33,34)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234968
PNG
(US9556148, 39 | preparation of 4-(2-((4-(4-(6-acet...)
Show SMILES CC(=O)N1C2CC1CN(C2)C1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Show InChI InChI=1S/C31H34N8O2/c1-21(40)39-27-18-28(39)20-38(19-27)26-11-16-37(17-12-26)25-8-6-24(7-9-25)35-31-34-14-10-29(36-31)22-2-4-23(5-3-22)30(41)33-15-13-32/h2-10,14,26-28H,11-12,15-20H2,1H3,(H,33,41)(H,34,35,36)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234955
PNG
(US9556148, 18 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCNC2=O)n1
Show InChI InChI=1S/C27H28N8O2/c28-12-14-29-25(36)20-3-1-19(2-4-20)24-9-13-30-26(33-24)32-21-5-7-22(8-6-21)34-16-10-23(11-17-34)35-18-15-31-27(35)37/h1-9,13,23H,10-11,14-18H2,(H,29,36)(H,31,37)(H,30,32,33)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234966
PNG
(US9556148, 36 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES Cc1nnc(o1)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Show InChI InChI=1S/C26H25N9O2/c1-18-32-33-26(37-18)35-16-14-34(15-17-35)22-8-6-21(7-9-22)30-25-29-12-10-23(31-25)19-2-4-20(5-3-19)24(36)28-13-11-27/h2-10,12H,13-17H2,1H3,(H,28,36)(H,29,30,31)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234956
PNG
(US9556148, 19 | preparation of 4-(2-((4-(4-(1,3,4-...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)c2nnco2)n1
Show InChI InChI=1S/C26H24N8O2/c27-12-14-28-24(35)19-3-1-18(2-4-19)23-9-13-29-26(32-23)31-21-5-7-22(8-6-21)34-15-10-20(11-16-34)25-33-30-17-36-25/h1-9,13,17,20H,10-11,14-16H2,(H,28,35)(H,29,31,32)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234959
PNG
(US9556148, 27 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CC3OCCOC3C2)n1
Show InChI InChI=1S/C30H33N7O3/c31-12-14-32-29(38)22-3-1-21(2-4-22)26-9-13-33-30(35-26)34-23-5-7-24(8-6-23)36-15-10-25(11-16-36)37-19-27-28(20-37)40-18-17-39-27/h1-9,13,25,27-28H,10-11,14-20H2,(H,32,38)(H,33,34,35)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234970
PNG
(US9556148, 41 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCCC2=O)nc1-c1ccc(cc1)C(=O)NCC#N
Show InChI InChI=1S/C29H31N7O2/c1-20-19-32-29(34-27(20)21-4-6-22(7-5-21)28(38)31-15-14-30)33-23-8-10-24(11-9-23)35-17-12-25(13-18-35)36-16-2-3-26(36)37/h4-11,19,25H,2-3,12-13,15-18H2,1H3,(H,31,38)(H,32,33,34)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234953
PNG
(US9556148, 15 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C2CCOCC2)n1
Show InChI InChI=1S/C28H31N7O2/c29-12-14-30-27(36)22-3-1-21(2-4-22)26-9-13-31-28(33-26)32-23-5-7-24(8-6-23)34-15-17-35(18-16-34)25-10-19-37-20-11-25/h1-9,13,25H,10-11,14-20H2,(H,30,36)(H,31,32,33)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234963
PNG
(US9556148, 33 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C2=NCCN2)n1
Show InChI InChI=1S/C26H27N9O/c27-10-12-28-24(36)20-3-1-19(2-4-20)23-9-11-29-25(33-23)32-21-5-7-22(8-6-21)34-15-17-35(18-16-34)26-30-13-14-31-26/h1-9,11H,12-18H2,(H,28,36)(H,30,31)(H,29,32,33)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234960
PNG
(US9556148, 28 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCC3(CCC(=O)O3)CC2)n1
Show InChI InChI=1S/C32H35N7O3/c33-16-18-34-30(41)24-3-1-23(2-4-24)28-10-17-35-31(37-28)36-25-5-7-26(8-6-25)38-19-11-27(12-20-38)39-21-14-32(15-22-39)13-9-29(40)42-32/h1-8,10,17,27H,9,11-15,18-22H2,(H,34,41)(H,35,36,37)
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Cadila Healthcare Limited

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Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234955
PNG
(US9556148, 18 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCNC2=O)n1
Show InChI InChI=1S/C27H28N8O2/c28-12-14-29-25(36)20-3-1-19(2-4-20)24-9-13-30-26(33-24)32-21-5-7-22(8-6-21)34-16-10-23(11-17-34)35-18-15-31-27(35)37/h1-9,13,23H,10-11,14-18H2,(H,29,36)(H,31,37)(H,30,32,33)
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Cadila Healthcare Limited

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Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234946
PNG
(US9556148, 3 | preparation of n-(cyanomethyl)-4-(2...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCOCC2)n1
Show InChI InChI=1S/C28H31N7O2/c29-12-14-30-27(36)22-3-1-21(2-4-22)26-9-13-31-28(33-26)32-23-5-7-24(8-6-23)34-15-10-25(11-16-34)35-17-19-37-20-18-35/h1-9,13,25H,10-11,14-20H2,(H,30,36)(H,31,32,33)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234950
PNG
(US9556148, 7 | preparation of n-(cyanomethyl)-4-(2...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C2CCS(=O)(=O)CC2)n1
Show InChI InChI=1S/C28H31N7O3S/c29-12-14-30-27(36)22-3-1-21(2-4-22)26-9-13-31-28(33-26)32-23-5-7-24(8-6-23)34-15-17-35(18-16-34)25-10-19-39(37,38)20-11-25/h1-9,13,25H,10-11,14-20H2,(H,30,36)(H,31,32,33)
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Cadila Healthcare Limited

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Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234958
PNG
(US9556148, 25 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES Cc1nnc(o1)C1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Show InChI InChI=1S/C27H26N8O2/c1-18-33-34-26(37-18)21-11-16-35(17-12-21)23-8-6-22(7-9-23)31-27-30-14-10-24(32-27)19-2-4-20(5-3-19)25(36)29-15-13-28/h2-10,14,21H,11-12,15-17H2,1H3,(H,29,36)(H,30,31,32)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234942
PNG
(US9556148, 1 | preparation of n-(cyanomethyl)-4-(2...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCCC2=O)n1
Show InChI InChI=1S/C28H29N7O2/c29-14-16-30-27(37)21-5-3-20(4-6-21)25-11-15-31-28(33-25)32-22-7-9-23(10-8-22)34-18-12-24(13-19-34)35-17-1-2-26(35)36/h3-11,15,24H,1-2,12-13,16-19H2,(H,30,37)(H,31,32,33)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234954
PNG
(US9556148, 17 | preparation of 4-(2-((4-(4-(6-oxa-...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CC3CC(C2)O3)n1
Show InChI InChI=1S/C29H31N7O2/c30-12-14-31-28(37)21-3-1-20(2-4-21)27-9-13-32-29(34-27)33-22-5-7-23(8-6-22)35-15-10-24(11-16-35)36-18-25-17-26(19-36)38-25/h1-9,13,24-26H,10-11,14-19H2,(H,31,37)(H,32,33,34)
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Cadila Healthcare Limited

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Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234964
PNG
(US9556148, 34 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C2=NCCN2)n1
Show InChI InChI=1S/C27H28N8O/c28-12-14-31-26(36)21-3-1-19(2-4-21)24-9-13-32-27(34-24)33-22-5-7-23(8-6-22)35-17-10-20(11-18-35)25-29-15-16-30-25/h1-9,13,20H,10-11,14-18H2,(H,29,30)(H,31,36)(H,32,33,34)
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Cadila Healthcare Limited

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Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234951
PNG
(US9556148, 9 | preparation of n-(cyanomethyl)-4-(2...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C2CCS(=O)(=O)C2)n1
Show InChI InChI=1S/C27H29N7O3S/c28-11-13-29-26(35)21-3-1-20(2-4-21)25-9-12-30-27(32-25)31-22-5-7-23(8-6-22)33-14-16-34(17-15-33)24-10-18-38(36,37)19-24/h1-9,12,24H,10,13-19H2,(H,29,35)(H,30,31,32)
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Cadila Healthcare Limited

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Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234950
PNG
(US9556148, 7 | preparation of n-(cyanomethyl)-4-(2...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C2CCS(=O)(=O)CC2)n1
Show InChI InChI=1S/C28H31N7O3S/c29-12-14-30-27(36)22-3-1-21(2-4-22)26-9-13-31-28(33-26)32-23-5-7-24(8-6-23)34-15-17-35(18-16-34)25-10-19-39(37,38)20-11-25/h1-9,13,25H,10-11,14-20H2,(H,30,36)(H,31,32,33)
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Cadila Healthcare Limited

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Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234961
PNG
(US9556148, 29 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)c2n[nH]c(=O)o2)n1
Show InChI InChI=1S/C26H24N8O3/c27-12-14-28-23(35)18-3-1-17(2-4-18)22-9-13-29-25(31-22)30-20-5-7-21(8-6-20)34-15-10-19(11-16-34)24-32-33-26(36)37-24/h1-9,13,19H,10-11,14-16H2,(H,28,35)(H,33,36)(H,29,30,31)
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Cadila Healthcare Limited

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Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234965
PNG
(US9556148, 35 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(C2)N2CC3OCCOC3C2)n1
Show InChI InChI=1S/C29H31N7O3/c30-11-13-31-28(37)21-3-1-20(2-4-21)25-9-12-32-29(34-25)33-22-5-7-23(8-6-22)35-14-10-24(17-35)36-18-26-27(19-36)39-16-15-38-26/h1-9,12,24,26-27H,10,13-19H2,(H,31,37)(H,32,33,34)
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Cadila Healthcare Limited

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Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234953
PNG
(US9556148, 15 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C2CCOCC2)n1
Show InChI InChI=1S/C28H31N7O2/c29-12-14-30-27(36)22-3-1-21(2-4-22)26-9-13-31-28(33-26)32-23-5-7-24(8-6-23)34-15-17-35(18-16-34)25-10-19-37-20-11-25/h1-9,13,25H,10-11,14-20H2,(H,30,36)(H,31,32,33)
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Cadila Healthcare Limited

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Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234949
PNG
(US9556148, 6 | preparation of 4-(2-((4-([1,3'-bipy...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(C2)N2CCCC2)n1
Show InChI InChI=1S/C27H29N7O/c28-13-15-29-26(35)21-5-3-20(4-6-21)25-11-14-30-27(32-25)31-22-7-9-23(10-8-22)34-18-12-24(19-34)33-16-1-2-17-33/h3-11,14,24H,1-2,12,15-19H2,(H,29,35)(H,30,31,32)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234973
PNG
(US9556148, 44 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES Fc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCOCC2)nc1-c1ccc(cc1)C(=O)NCC#N
Show InChI InChI=1S/C28H30FN7O2/c29-25-19-32-28(34-26(25)20-1-3-21(4-2-20)27(37)31-12-11-30)33-22-5-7-23(8-6-22)35-13-9-24(10-14-35)36-15-17-38-18-16-36/h1-8,19,24H,9-10,12-18H2,(H,31,37)(H,32,33,34)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234948
PNG
(US9556148, 4 | preparation of 4-(2-((4-(4-(1h-1,2,...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)n2cncn2)n1
Show InChI InChI=1S/C26H25N9O/c27-12-14-29-25(36)20-3-1-19(2-4-20)24-9-13-30-26(33-24)32-21-5-7-22(8-6-21)34-15-10-23(11-16-34)35-18-28-17-31-35/h1-9,13,17-18,23H,10-11,14-16H2,(H,29,36)(H,30,32,33)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234962
PNG
(US9556148, 31 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES COc1nnc(o1)C1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Show InChI InChI=1S/C27H26N8O3/c1-37-27-34-33-25(38-27)20-11-16-35(17-12-20)22-8-6-21(7-9-22)31-26-30-14-10-23(32-26)18-2-4-19(5-3-18)24(36)29-15-13-28/h2-10,14,20H,11-12,15-17H2,1H3,(H,29,36)(H,30,31,32)
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Cadila Healthcare Limited

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Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234952
PNG
(US9556148, 12 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCOC2=O)n1
Show InChI InChI=1S/C27H27N7O3/c28-12-14-29-25(35)20-3-1-19(2-4-20)24-9-13-30-26(32-24)31-21-5-7-22(8-6-21)33-15-10-23(11-16-33)34-17-18-37-27(34)36/h1-9,13,23H,10-11,14-18H2,(H,29,35)(H,30,31,32)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234949
PNG
(US9556148, 6 | preparation of 4-(2-((4-([1,3'-bipy...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(C2)N2CCCC2)n1
Show InChI InChI=1S/C27H29N7O/c28-13-15-29-26(35)21-5-3-20(4-6-21)25-11-14-30-27(32-25)31-22-7-9-23(10-8-22)34-18-12-24(19-34)33-16-1-2-17-33/h3-11,14,24H,1-2,12,15-19H2,(H,29,35)(H,30,31,32)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234964
PNG
(US9556148, 34 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C2=NCCN2)n1
Show InChI InChI=1S/C27H28N8O/c28-12-14-31-26(36)21-3-1-19(2-4-21)24-9-13-32-27(34-24)33-22-5-7-23(8-6-22)35-17-10-20(11-18-35)25-29-15-16-30-25/h1-9,13,20H,10-11,14-18H2,(H,29,30)(H,31,36)(H,32,33,34)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234963
PNG
(US9556148, 33 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C2=NCCN2)n1
Show InChI InChI=1S/C26H27N9O/c27-10-12-28-24(36)20-3-1-19(2-4-20)23-9-11-29-25(33-23)32-21-5-7-22(8-6-21)34-15-17-35(18-16-34)26-30-13-14-31-26/h1-9,11H,12-18H2,(H,28,36)(H,30,31)(H,29,32,33)
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Cadila Healthcare Limited

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Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234962
PNG
(US9556148, 31 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES COc1nnc(o1)C1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Show InChI InChI=1S/C27H26N8O3/c1-37-27-34-33-25(38-27)20-11-16-35(17-12-20)22-8-6-21(7-9-22)31-26-30-14-10-23(32-26)18-2-4-19(5-3-18)24(36)29-15-13-28/h2-10,14,20H,11-12,15-17H2,1H3,(H,29,36)(H,30,31,32)
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Cadila Healthcare Limited

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Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234948
PNG
(US9556148, 4 | preparation of 4-(2-((4-(4-(1h-1,2,...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)n2cncn2)n1
Show InChI InChI=1S/C26H25N9O/c27-12-14-29-25(36)20-3-1-19(2-4-20)24-9-13-30-26(33-24)32-21-5-7-22(8-6-21)34-15-10-23(11-16-34)35-18-28-17-31-35/h1-9,13,17-18,23H,10-11,14-16H2,(H,29,36)(H,30,32,33)
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Cadila Healthcare Limited

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Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234961
PNG
(US9556148, 29 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)c2n[nH]c(=O)o2)n1
Show InChI InChI=1S/C26H24N8O3/c27-12-14-28-23(35)18-3-1-17(2-4-18)22-9-13-29-25(31-22)30-20-5-7-21(8-6-20)34-15-10-19(11-16-34)24-32-33-26(36)37-24/h1-9,13,19H,10-11,14-16H2,(H,28,35)(H,33,36)(H,29,30,31)
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Cadila Healthcare Limited

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Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234965
PNG
(US9556148, 35 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(C2)N2CC3OCCOC3C2)n1
Show InChI InChI=1S/C29H31N7O3/c30-11-13-31-28(37)21-3-1-20(2-4-21)25-9-12-32-29(34-25)33-22-5-7-23(8-6-22)35-14-10-24(17-35)36-18-26-27(19-36)39-16-15-38-26/h1-9,12,24,26-27H,10,13-19H2,(H,31,37)(H,32,33,34)
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Cadila Healthcare Limited

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Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234957
PNG
(US9556148, 24 | preparation of 4-(2-((4-(4-(1-oxa-...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCC3(CCCO3)CC2)n1
Show InChI InChI=1S/C32H37N7O2/c33-16-18-34-30(40)25-4-2-24(3-5-25)29-10-17-35-31(37-29)36-26-6-8-27(9-7-26)38-19-11-28(12-20-38)39-21-14-32(15-22-39)13-1-23-41-32/h2-10,17,28H,1,11-15,18-23H2,(H,34,40)(H,35,36,37)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234952
PNG
(US9556148, 12 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCOC2=O)n1
Show InChI InChI=1S/C27H27N7O3/c28-12-14-29-25(35)20-3-1-19(2-4-20)24-9-13-30-26(32-24)31-21-5-7-22(8-6-21)33-15-10-23(11-16-33)34-17-18-37-27(34)36/h1-9,13,23H,10-11,14-18H2,(H,29,35)(H,30,31,32)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234969
PNG
(US9556148, 40 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCOCC2)nc1-c1ccc(cc1)C(=O)NCC#N
Show InChI InChI=1S/C29H33N7O2/c1-21-20-32-29(34-27(21)22-2-4-23(5-3-22)28(37)31-13-12-30)33-24-6-8-25(9-7-24)35-14-10-26(11-15-35)36-16-18-38-19-17-36/h2-9,20,26H,10-11,13-19H2,1H3,(H,31,37)(H,32,33,34)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234956
PNG
(US9556148, 19 | preparation of 4-(2-((4-(4-(1,3,4-...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)c2nnco2)n1
Show InChI InChI=1S/C26H24N8O2/c27-12-14-28-24(35)19-3-1-18(2-4-19)23-9-13-29-26(32-23)31-21-5-7-22(8-6-21)34-15-10-20(11-16-34)25-33-30-17-36-25/h1-9,13,17,20H,10-11,14-16H2,(H,28,35)(H,29,31,32)
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Cadila Healthcare Limited

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Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234951
PNG
(US9556148, 9 | preparation of n-(cyanomethyl)-4-(2...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C2CCS(=O)(=O)C2)n1
Show InChI InChI=1S/C27H29N7O3S/c28-11-13-29-26(35)21-3-1-20(2-4-21)25-9-12-30-27(32-25)31-22-5-7-23(8-6-22)33-14-16-34(17-15-33)24-10-18-38(36,37)19-24/h1-9,12,24H,10,13-19H2,(H,29,35)(H,30,31,32)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234966
PNG
(US9556148, 36 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES Cc1nnc(o1)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Show InChI InChI=1S/C26H25N9O2/c1-18-32-33-26(37-18)35-16-14-34(15-17-35)22-8-6-21(7-9-22)30-25-29-12-10-23(31-25)19-2-4-20(5-3-19)24(36)28-13-11-27/h2-10,12H,13-17H2,1H3,(H,28,36)(H,29,30,31)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234958
PNG
(US9556148, 25 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES Cc1nnc(o1)C1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Show InChI InChI=1S/C27H26N8O2/c1-18-33-34-26(37-18)21-11-16-35(17-12-21)23-8-6-22(7-9-23)31-27-30-14-10-24(32-27)19-2-4-20(5-3-19)25(36)29-15-13-28/h2-10,14,21H,11-12,15-17H2,1H3,(H,29,36)(H,30,31,32)
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Cadila Healthcare Limited

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Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234959
PNG
(US9556148, 27 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CC3OCCOC3C2)n1
Show InChI InChI=1S/C30H33N7O3/c31-12-14-32-29(38)22-3-1-21(2-4-22)26-9-13-33-30(35-26)34-23-5-7-24(8-6-23)36-15-10-25(11-16-36)37-19-27-28(20-37)40-18-17-39-27/h1-9,13,25,27-28H,10-11,14-20H2,(H,32,38)(H,33,34,35)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234955
PNG
(US9556148, 18 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCNC2=O)n1
Show InChI InChI=1S/C27H28N8O2/c28-12-14-29-25(36)20-3-1-19(2-4-20)24-9-13-30-26(33-24)32-21-5-7-22(8-6-21)34-16-10-23(11-17-34)35-18-15-31-27(35)37/h1-9,13,23H,10-11,14-18H2,(H,29,36)(H,31,37)(H,30,32,33)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234968
PNG
(US9556148, 39 | preparation of 4-(2-((4-(4-(6-acet...)
Show SMILES CC(=O)N1C2CC1CN(C2)C1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Show InChI InChI=1S/C31H34N8O2/c1-21(40)39-27-18-28(39)20-38(19-27)26-11-16-37(17-12-26)25-8-6-24(7-9-25)35-31-34-14-10-29(36-31)22-2-4-23(5-3-22)30(41)33-15-13-32/h2-10,14,26-28H,11-12,15-20H2,1H3,(H,33,41)(H,34,35,36)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234943
PNG
(US9556148, 2 | preparation of n-(cyanomethyl)-4-(2...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCCS2(=O)=O)n1
Show InChI InChI=1S/C27H29N7O3S/c28-13-15-29-26(35)21-4-2-20(3-5-21)25-10-14-30-27(32-25)31-22-6-8-23(9-7-22)33-17-11-24(12-18-33)34-16-1-19-38(34,36)37/h2-10,14,24H,1,11-12,15-19H2,(H,29,35)(H,30,31,32)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234972
PNG
(US9556148, 43 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES Cc1nnc(o1)C1CCN(CC1)c1ccc(Nc2ncc(C)c(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Show InChI InChI=1S/C28H28N8O2/c1-18-17-31-28(33-25(18)20-3-5-21(6-4-20)26(37)30-14-13-29)32-23-7-9-24(10-8-23)36-15-11-22(12-16-36)27-35-34-19(2)38-27/h3-10,17,22H,11-12,14-16H2,1-2H3,(H,30,37)(H,31,32,33)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234963
PNG
(US9556148, 33 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C2=NCCN2)n1
Show InChI InChI=1S/C26H27N9O/c27-10-12-28-24(36)20-3-1-19(2-4-20)23-9-11-29-25(33-23)32-21-5-7-22(8-6-21)34-15-17-35(18-16-34)26-30-13-14-31-26/h1-9,11H,12-18H2,(H,28,36)(H,30,31)(H,29,32,33)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234960
PNG
(US9556148, 28 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCC3(CCC(=O)O3)CC2)n1
Show InChI InChI=1S/C32H35N7O3/c33-16-18-34-30(41)24-3-1-23(2-4-24)28-10-17-35-31(37-28)36-25-5-7-26(8-6-25)38-19-11-27(12-20-38)39-21-14-32(15-22-39)13-9-29(40)42-32/h1-8,10,17,27H,9,11-15,18-22H2,(H,34,41)(H,35,36,37)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234961
PNG
(US9556148, 29 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)c2n[nH]c(=O)o2)n1
Show InChI InChI=1S/C26H24N8O3/c27-12-14-28-23(35)18-3-1-17(2-4-18)22-9-13-29-25(31-22)30-20-5-7-21(8-6-20)34-15-10-19(11-16-34)24-32-33-26(36)37-24/h1-9,13,19H,10-11,14-16H2,(H,28,35)(H,33,36)(H,29,30,31)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234971
PNG
(US9556148, 42 | preparation of 4-(2-((4-(4-(1-oxa-...)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCC3(CCCO3)CC2)nc1-c1ccc(cc1)C(=O)NCC#N
Show InChI InChI=1S/C33H39N7O2/c1-24-23-36-32(38-30(24)25-3-5-26(6-4-25)31(41)35-17-16-34)37-27-7-9-28(10-8-27)39-18-11-29(12-19-39)40-20-14-33(15-21-40)13-2-22-42-33/h3-10,23,29H,2,11-15,17-22H2,1H3,(H,35,41)(H,36,37,38)
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Cadila Healthcare Limited

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Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234950
PNG
(US9556148, 7 | preparation of n-(cyanomethyl)-4-(2...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C2CCS(=O)(=O)CC2)n1
Show InChI InChI=1S/C28H31N7O3S/c29-12-14-30-27(36)22-3-1-21(2-4-22)26-9-13-31-28(33-26)32-23-5-7-24(8-6-23)34-15-17-35(18-16-34)25-10-19-39(37,38)20-11-25/h1-9,13,25H,10-11,14-20H2,(H,30,36)(H,31,32,33)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234946
PNG
(US9556148, 3 | preparation of n-(cyanomethyl)-4-(2...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCOCC2)n1
Show InChI InChI=1S/C28H31N7O2/c29-12-14-30-27(36)22-3-1-21(2-4-22)26-9-13-31-28(33-26)32-23-5-7-24(8-6-23)34-15-10-25(11-16-34)35-17-19-37-20-18-35/h1-9,13,25H,10-11,14-20H2,(H,30,36)(H,31,32,33)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234948
PNG
(US9556148, 4 | preparation of 4-(2-((4-(4-(1h-1,2,...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)n2cncn2)n1
Show InChI InChI=1S/C26H25N9O/c27-12-14-29-25(36)20-3-1-19(2-4-20)24-9-13-30-26(33-24)32-21-5-7-22(8-6-21)34-15-10-23(11-16-34)35-18-28-17-31-35/h1-9,13,17-18,23H,10-11,14-16H2,(H,29,36)(H,30,32,33)
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n/an/a 66n/an/an/an/an/an/a



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234954
PNG
(US9556148, 17 | preparation of 4-(2-((4-(4-(6-oxa-...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CC3CC(C2)O3)n1
Show InChI InChI=1S/C29H31N7O2/c30-12-14-31-28(37)21-3-1-20(2-4-21)27-9-13-32-29(34-27)33-22-5-7-23(8-6-22)35-15-10-24(11-16-35)36-18-25-17-26(19-36)38-25/h1-9,13,24-26H,10-11,14-19H2,(H,31,37)(H,32,33,34)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234942
PNG
(US9556148, 1 | preparation of n-(cyanomethyl)-4-(2...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCCC2=O)n1
Show InChI InChI=1S/C28H29N7O2/c29-14-16-30-27(37)21-5-3-20(4-6-21)25-11-15-31-28(33-25)32-22-7-9-23(10-8-22)34-18-12-24(13-19-34)35-17-1-2-26(35)36/h3-11,15,24H,1-2,12-13,16-19H2,(H,30,37)(H,31,32,33)
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n/an/a 72n/an/an/an/an/an/a



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234962
PNG
(US9556148, 31 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES COc1nnc(o1)C1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Show InChI InChI=1S/C27H26N8O3/c1-37-27-34-33-25(38-27)20-11-16-35(17-12-20)22-8-6-21(7-9-22)31-26-30-14-10-23(32-26)18-2-4-19(5-3-18)24(36)29-15-13-28/h2-10,14,20H,11-12,15-17H2,1H3,(H,29,36)(H,30,31,32)
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n/an/a 74n/an/an/an/an/an/a



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234952
PNG
(US9556148, 12 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCOC2=O)n1
Show InChI InChI=1S/C27H27N7O3/c28-12-14-29-25(35)20-3-1-19(2-4-20)24-9-13-30-26(32-24)31-21-5-7-22(8-6-21)33-15-10-23(11-16-33)34-17-18-37-27(34)36/h1-9,13,23H,10-11,14-18H2,(H,29,35)(H,30,31,32)
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n/an/a 78n/an/an/an/an/an/a



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234953
PNG
(US9556148, 15 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C2CCOCC2)n1
Show InChI InChI=1S/C28H31N7O2/c29-12-14-30-27(36)22-3-1-21(2-4-22)26-9-13-31-28(33-26)32-23-5-7-24(8-6-23)34-15-17-35(18-16-34)25-10-19-37-20-11-25/h1-9,13,25H,10-11,14-20H2,(H,30,36)(H,31,32,33)
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n/an/a 88n/an/an/an/an/an/a



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234964
PNG
(US9556148, 34 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C2=NCCN2)n1
Show InChI InChI=1S/C27H28N8O/c28-12-14-31-26(36)21-3-1-19(2-4-21)24-9-13-32-27(34-24)33-22-5-7-23(8-6-22)35-17-10-20(11-18-35)25-29-15-16-30-25/h1-9,13,20H,10-11,14-18H2,(H,29,30)(H,31,36)(H,32,33,34)
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n/an/a 124n/an/an/an/an/an/a



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234965
PNG
(US9556148, 35 | preparation of n-(cyanomethyl)-4-(...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(C2)N2CC3OCCOC3C2)n1
Show InChI InChI=1S/C29H31N7O3/c30-11-13-31-28(37)21-3-1-20(2-4-21)25-9-12-32-29(34-25)33-22-5-7-23(8-6-22)35-14-10-24(17-35)36-18-26-27(19-36)39-16-15-38-26/h1-9,12,24,26-27H,10,13-19H2,(H,31,37)(H,32,33,34)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM234949
PNG
(US9556148, 6 | preparation of 4-(2-((4-([1,3'-bipy...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(C2)N2CCCC2)n1
Show InChI InChI=1S/C27H29N7O/c28-13-15-29-26(35)21-5-3-20(4-6-21)25-11-14-30-27(32-25)31-22-7-9-23(10-8-22)34-18-12-24(19-34)33-16-1-2-17-33/h3-11,14,24H,1-2,12,15-19H2,(H,29,35)(H,30,31,32)
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n/an/a 155n/an/an/an/an/an/a



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


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