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Patent code US9862688

Compile Data Set for Download or QSAR
Found 47 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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM364420
PNG
(US9862688, Compound 6)
Show SMILES Clc1cnc(Nc2cnn(c2)C2CCN(CC2)C(=O)CC2[C@H]3CC4C[C@@H](C[C@H]2C4)C3)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C34H41ClN8O2/c1-2-31(44)39-26-5-3-4-21(15-26)17-36-33-30(35)19-37-34(41-33)40-27-18-38-43(20-27)28-6-8-42(9-7-28)32(45)16-29-24-11-22-10-23(13-24)14-25(29)12-22/h2-5,15,18-20,22-25,28-29H,1,6-14,16-17H2,(H,39,44)(H2,36,37,40,41)/t22-,23?,24-,25+,29?
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n/an/a 1.64n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM364420
PNG
(US9862688, Compound 6)
Show SMILES Clc1cnc(Nc2cnn(c2)C2CCN(CC2)C(=O)CC2[C@H]3CC4C[C@@H](C[C@H]2C4)C3)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C34H41ClN8O2/c1-2-31(44)39-26-5-3-4-21(15-26)17-36-33-30(35)19-37-34(41-33)40-27-18-38-43(20-27)28-6-8-42(9-7-28)32(45)16-29-24-11-22-10-23(13-24)14-25(29)12-22/h2-5,15,18-20,22-25,28-29H,1,6-14,16-17H2,(H,39,44)(H2,36,37,40,41)/t22-,23?,24-,25+,29?
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n/an/a 3.86n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364418
PNG
(US9862688, Compound 5)
Show SMILES Clc1cnc(Nc2cnn(CCN3CCN(CC3)C(=O)CC3C4C[C@@H]5CC(C4)C[C@H]3C5)c2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C35H44ClN9O2/c1-2-32(46)40-28-5-3-4-23(17-28)19-37-34-31(36)21-38-35(42-34)41-29-20-39-45(22-29)11-8-43-6-9-44(10-7-43)33(47)18-30-26-13-24-12-25(15-26)16-27(30)14-24/h2-5,17,20-22,24-27,30H,1,6-16,18-19H2,(H,40,46)(H2,37,38,41,42)/t24-,25?,26-,27?,30?/s2
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n/an/a 4.90n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364420
PNG
(US9862688, Compound 6)
Show SMILES Clc1cnc(Nc2cnn(c2)C2CCN(CC2)C(=O)CC2[C@H]3CC4C[C@@H](C[C@H]2C4)C3)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C34H41ClN8O2/c1-2-31(44)39-26-5-3-4-21(15-26)17-36-33-30(35)19-37-34(41-33)40-27-18-38-43(20-27)28-6-8-42(9-7-28)32(45)16-29-24-11-22-10-23(13-24)14-25(29)12-22/h2-5,15,18-20,22-25,28-29H,1,6-14,16-17H2,(H,39,44)(H2,36,37,40,41)/t22-,23?,24-,25+,29?
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n/an/a 5.90n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364422
PNG
(US9862688, Compound 7)
Show SMILES Clc1cnc(Nc2cnn(c2)C2CCN(CCNC(=O)CC3[C@H]4C[C@@H]5C[C@H](C[C@@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C36H46ClN9O2/c1-2-33(47)42-28-5-3-4-23(17-28)19-39-35-32(37)21-40-36(44-35)43-29-20-41-46(22-29)30-6-9-45(10-7-30)11-8-38-34(48)18-31-26-13-24-12-25(15-26)16-27(31)14-24/h2-5,17,20-22,24-27,30-31H,1,6-16,18-19H2,(H,38,48)(H,42,47)(H2,39,40,43,44)/t24-,25-,26-,27-,31?
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n/an/a 6.80n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364417
PNG
(US9862688, Compound 4)
Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCN(CCCCNC(=O)CC3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C40H51ClN8O2/c1-2-37(50)45-33-7-5-6-27(23-33)25-43-39-36(41)26-44-40(47-39)46-32-8-10-34(11-9-32)49-16-14-48(15-17-49)13-4-3-12-42-38(51)24-35-30-19-28-18-29(21-30)22-31(35)20-28/h2,5-11,23,26,28-31,35H,1,3-4,12-22,24-25H2,(H,42,51)(H,45,50)(H2,43,44,46,47)/t28-,29+,30-,31+,35?
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n/an/a 7.95n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364410
PNG
(US9862688, Compound 3)
Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCN(CCCNC(=O)CC3[C@H]4C[C@@H]5C[C@H](C[C@@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C39H49ClN8O2/c1-2-36(49)44-32-6-3-5-26(22-32)24-42-38-35(40)25-43-39(46-38)45-31-7-9-33(10-8-31)48-15-13-47(14-16-48)12-4-11-41-37(50)23-34-29-18-27-17-28(20-29)21-30(34)19-27/h2-3,5-10,22,25,27-30,34H,1,4,11-21,23-24H2,(H,41,50)(H,44,49)(H2,42,43,45,46)/t27-,28-,29-,30-,34?
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n/an/a 12.8n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364420
PNG
(US9862688, Compound 6)
Show SMILES Clc1cnc(Nc2cnn(c2)C2CCN(CC2)C(=O)CC2[C@H]3CC4C[C@@H](C[C@H]2C4)C3)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C34H41ClN8O2/c1-2-31(44)39-26-5-3-4-21(15-26)17-36-33-30(35)19-37-34(41-33)40-27-18-38-43(20-27)28-6-8-42(9-7-28)32(45)16-29-24-11-22-10-23(13-24)14-25(29)12-22/h2-5,15,18-20,22-25,28-29H,1,6-14,16-17H2,(H,39,44)(H2,36,37,40,41)/t22-,23?,24-,25+,29?
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n/an/a 38n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364403
PNG
(US9862688, Compound 2)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(CCCNC(=O)CC2[C@H]3C[C@@H]4C[C@H](C[C@@H]2C4)C3)CC1
Show InChI InChI=1/C40H51ClN8O3/c1-3-37(50)45-31-7-4-6-26(21-31)24-43-39-34(41)25-44-40(47-39)46-35-9-8-32(22-36(35)52-2)49-14-12-48(13-15-49)11-5-10-42-38(51)23-33-29-17-27-16-28(19-29)20-30(33)18-27/h3-4,6-9,21-22,25,27-30,33H,1,5,10-20,23-24H2,2H3,(H,42,51)(H,45,50)(H2,43,44,46,47)/t27-,28-,29-,30-,33?
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364373
PNG
(US9862688, Compound 1)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(CCNC(=O)CC2[C@H]3CC4C[C@@H](C[C@@H]2C4)C3)CC1
Show InChI InChI=1/C39H49ClN8O3/c1-3-36(49)44-30-6-4-5-25(20-30)23-42-38-33(40)24-43-39(46-38)45-34-8-7-31(21-35(34)51-2)48-13-11-47(12-14-48)10-9-41-37(50)22-32-28-16-26-15-27(18-28)19-29(32)17-26/h3-8,20-21,24,26-29,32H,1,9-19,22-23H2,2H3,(H,41,50)(H,44,49)(H2,42,43,45,46)/t26-,27?,28-,29-,32?/s2
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n/an/a 55.5n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364417
PNG
(US9862688, Compound 4)
Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCN(CCCCNC(=O)CC3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C40H51ClN8O2/c1-2-37(50)45-33-7-5-6-27(23-33)25-43-39-36(41)26-44-40(47-39)46-32-8-10-34(11-9-32)49-16-14-48(15-17-49)13-4-3-12-42-38(51)24-35-30-19-28-18-29(21-30)22-31(35)20-28/h2,5-11,23,26,28-31,35H,1,3-4,12-22,24-25H2,(H,42,51)(H,45,50)(H2,43,44,46,47)/t28-,29+,30-,31+,35?
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n/an/a 64.8n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364410
PNG
(US9862688, Compound 3)
Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCN(CCCNC(=O)CC3[C@H]4C[C@@H]5C[C@H](C[C@@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C39H49ClN8O2/c1-2-36(49)44-32-6-3-5-26(22-32)24-42-38-35(40)25-43-39(46-38)45-31-7-9-33(10-8-31)48-15-13-47(14-16-48)12-4-11-41-37(50)23-34-29-18-27-17-28(20-29)21-30(34)19-27/h2-3,5-10,22,25,27-30,34H,1,4,11-21,23-24H2,(H,41,50)(H,44,49)(H2,42,43,45,46)/t27-,28-,29-,30-,34?
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n/an/a 72.7n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364418
PNG
(US9862688, Compound 5)
Show SMILES Clc1cnc(Nc2cnn(CCN3CCN(CC3)C(=O)CC3C4C[C@@H]5CC(C4)C[C@H]3C5)c2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C35H44ClN9O2/c1-2-32(46)40-28-5-3-4-23(17-28)19-37-34-31(36)21-38-35(42-34)41-29-20-39-45(22-29)11-8-43-6-9-44(10-7-43)33(47)18-30-26-13-24-12-25(15-26)16-27(30)14-24/h2-5,17,20-22,24-27,30H,1,6-16,18-19H2,(H,40,46)(H2,37,38,41,42)/t24-,25?,26-,27?,30?/s2
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364422
PNG
(US9862688, Compound 7)
Show SMILES Clc1cnc(Nc2cnn(c2)C2CCN(CCNC(=O)CC3[C@H]4C[C@@H]5C[C@H](C[C@@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C36H46ClN9O2/c1-2-33(47)42-28-5-3-4-23(17-28)19-39-35-32(37)21-40-36(44-35)43-29-20-41-46(22-29)30-6-9-45(10-7-30)11-8-38-34(48)18-31-26-13-24-12-25(15-26)16-27(31)14-24/h2-5,17,20-22,24-27,30-31H,1,6-16,18-19H2,(H,38,48)(H,42,47)(H2,39,40,43,44)/t24-,25-,26-,27-,31?
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364417
PNG
(US9862688, Compound 4)
Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCN(CCCCNC(=O)CC3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C40H51ClN8O2/c1-2-37(50)45-33-7-5-6-27(23-33)25-43-39-36(41)26-44-40(47-39)46-32-8-10-34(11-9-32)49-16-14-48(15-17-49)13-4-3-12-42-38(51)24-35-30-19-28-18-29(21-30)22-31(35)20-28/h2,5-11,23,26,28-31,35H,1,3-4,12-22,24-25H2,(H,42,51)(H,45,50)(H2,43,44,46,47)/t28-,29+,30-,31+,35?
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n/an/a 252n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM364417
PNG
(US9862688, Compound 4)
Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCN(CCCCNC(=O)CC3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C40H51ClN8O2/c1-2-37(50)45-33-7-5-6-27(23-33)25-43-39-36(41)26-44-40(47-39)46-32-8-10-34(11-9-32)49-16-14-48(15-17-49)13-4-3-12-42-38(51)24-35-30-19-28-18-29(21-30)22-31(35)20-28/h2,5-11,23,26,28-31,35H,1,3-4,12-22,24-25H2,(H,42,51)(H,45,50)(H2,43,44,46,47)/t28-,29+,30-,31+,35?
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364403
PNG
(US9862688, Compound 2)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(CCCNC(=O)CC2[C@H]3C[C@@H]4C[C@H](C[C@@H]2C4)C3)CC1
Show InChI InChI=1/C40H51ClN8O3/c1-3-37(50)45-31-7-4-6-26(21-31)24-43-39-34(41)25-44-40(47-39)46-35-9-8-32(22-36(35)52-2)49-14-12-48(13-15-49)11-5-10-42-38(51)23-33-29-17-27-16-28(19-29)20-30(33)18-27/h3-4,6-9,21-22,25,27-30,33H,1,5,10-20,23-24H2,2H3,(H,42,51)(H,45,50)(H2,43,44,46,47)/t27-,28-,29-,30-,33?
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n/an/a 382n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364417
PNG
(US9862688, Compound 4)
Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCN(CCCCNC(=O)CC3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C40H51ClN8O2/c1-2-37(50)45-33-7-5-6-27(23-33)25-43-39-36(41)26-44-40(47-39)46-32-8-10-34(11-9-32)49-16-14-48(15-17-49)13-4-3-12-42-38(51)24-35-30-19-28-18-29(21-30)22-31(35)20-28/h2,5-11,23,26,28-31,35H,1,3-4,12-22,24-25H2,(H,42,51)(H,45,50)(H2,43,44,46,47)/t28-,29+,30-,31+,35?
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n/an/a 415n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364373
PNG
(US9862688, Compound 1)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(CCNC(=O)CC2[C@H]3CC4C[C@@H](C[C@@H]2C4)C3)CC1
Show InChI InChI=1/C39H49ClN8O3/c1-3-36(49)44-30-6-4-5-25(20-30)23-42-38-33(40)24-43-39(46-38)45-34-8-7-31(21-35(34)51-2)48-13-11-47(12-14-48)10-9-41-37(50)22-32-28-16-26-15-27(18-28)19-29(32)17-26/h3-8,20-21,24,26-29,32H,1,9-19,22-23H2,2H3,(H,41,50)(H,44,49)(H2,42,43,45,46)/t26-,27?,28-,29-,32?/s2
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n/an/a 482n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM364410
PNG
(US9862688, Compound 3)
Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCN(CCCNC(=O)CC3[C@H]4C[C@@H]5C[C@H](C[C@@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C39H49ClN8O2/c1-2-36(49)44-32-6-3-5-26(22-32)24-42-38-35(40)25-43-39(46-38)45-31-7-9-33(10-8-31)48-15-13-47(14-16-48)12-4-11-41-37(50)23-34-29-18-27-17-28(20-29)21-30(34)19-27/h2-3,5-10,22,25,27-30,34H,1,4,11-21,23-24H2,(H,41,50)(H,44,49)(H2,42,43,45,46)/t27-,28-,29-,30-,34?
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n/an/a 542n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM364417
PNG
(US9862688, Compound 4)
Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCN(CCCCNC(=O)CC3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C40H51ClN8O2/c1-2-37(50)45-33-7-5-6-27(23-33)25-43-39-36(41)26-44-40(47-39)46-32-8-10-34(11-9-32)49-16-14-48(15-17-49)13-4-3-12-42-38(51)24-35-30-19-28-18-29(21-30)22-31(35)20-28/h2,5-11,23,26,28-31,35H,1,3-4,12-22,24-25H2,(H,42,51)(H,45,50)(H2,43,44,46,47)/t28-,29+,30-,31+,35?
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n/an/a 623n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM364418
PNG
(US9862688, Compound 5)
Show SMILES Clc1cnc(Nc2cnn(CCN3CCN(CC3)C(=O)CC3C4C[C@@H]5CC(C4)C[C@H]3C5)c2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C35H44ClN9O2/c1-2-32(46)40-28-5-3-4-23(17-28)19-37-34-31(36)21-38-35(42-34)41-29-20-39-45(22-29)11-8-43-6-9-44(10-7-43)33(47)18-30-26-13-24-12-25(15-26)16-27(30)14-24/h2-5,17,20-22,24-27,30H,1,6-16,18-19H2,(H,40,46)(H2,37,38,41,42)/t24-,25?,26-,27?,30?/s2
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n/an/a 676n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM364422
PNG
(US9862688, Compound 7)
Show SMILES Clc1cnc(Nc2cnn(c2)C2CCN(CCNC(=O)CC3[C@H]4C[C@@H]5C[C@H](C[C@@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C36H46ClN9O2/c1-2-33(47)42-28-5-3-4-23(17-28)19-39-35-32(37)21-40-36(44-35)43-29-20-41-46(22-29)30-6-9-45(10-7-30)11-8-38-34(48)18-31-26-13-24-12-25(15-26)16-27(31)14-24/h2-5,17,20-22,24-27,30-31H,1,6-16,18-19H2,(H,38,48)(H,42,47)(H2,39,40,43,44)/t24-,25-,26-,27-,31?
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n/an/a 794n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364422
PNG
(US9862688, Compound 7)
Show SMILES Clc1cnc(Nc2cnn(c2)C2CCN(CCNC(=O)CC3[C@H]4C[C@@H]5C[C@H](C[C@@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C36H46ClN9O2/c1-2-33(47)42-28-5-3-4-23(17-28)19-39-35-32(37)21-40-36(44-35)43-29-20-41-46(22-29)30-6-9-45(10-7-30)11-8-38-34(48)18-31-26-13-24-12-25(15-26)16-27(31)14-24/h2-5,17,20-22,24-27,30-31H,1,6-16,18-19H2,(H,38,48)(H,42,47)(H2,39,40,43,44)/t24-,25-,26-,27-,31?
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n/an/a 954n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364418
PNG
(US9862688, Compound 5)
Show SMILES Clc1cnc(Nc2cnn(CCN3CCN(CC3)C(=O)CC3C4C[C@@H]5CC(C4)C[C@H]3C5)c2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C35H44ClN9O2/c1-2-32(46)40-28-5-3-4-23(17-28)19-37-34-31(36)21-38-35(42-34)41-29-20-39-45(22-29)11-8-43-6-9-44(10-7-43)33(47)18-30-26-13-24-12-25(15-26)16-27(30)14-24/h2-5,17,20-22,24-27,30H,1,6-16,18-19H2,(H,40,46)(H2,37,38,41,42)/t24-,25?,26-,27?,30?/s2
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n/an/a 1.11E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364410
PNG
(US9862688, Compound 3)
Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCN(CCCNC(=O)CC3[C@H]4C[C@@H]5C[C@H](C[C@@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C39H49ClN8O2/c1-2-36(49)44-32-6-3-5-26(22-32)24-42-38-35(40)25-43-39(46-38)45-31-7-9-33(10-8-31)48-15-13-47(14-16-48)12-4-11-41-37(50)23-34-29-18-27-17-28(20-29)21-30(34)19-27/h2-3,5-10,22,25,27-30,34H,1,4,11-21,23-24H2,(H,41,50)(H,44,49)(H2,42,43,45,46)/t27-,28-,29-,30-,34?
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n/an/a 1.12E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364410
PNG
(US9862688, Compound 3)
Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCN(CCCNC(=O)CC3[C@H]4C[C@@H]5C[C@H](C[C@@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C39H49ClN8O2/c1-2-36(49)44-32-6-3-5-26(22-32)24-42-38-35(40)25-43-39(46-38)45-31-7-9-33(10-8-31)48-15-13-47(14-16-48)12-4-11-41-37(50)23-34-29-18-27-17-28(20-29)21-30(34)19-27/h2-3,5-10,22,25,27-30,34H,1,4,11-21,23-24H2,(H,41,50)(H,44,49)(H2,42,43,45,46)/t27-,28-,29-,30-,34?
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n/an/a 1.22E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364418
PNG
(US9862688, Compound 5)
Show SMILES Clc1cnc(Nc2cnn(CCN3CCN(CC3)C(=O)CC3C4C[C@@H]5CC(C4)C[C@H]3C5)c2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C35H44ClN9O2/c1-2-32(46)40-28-5-3-4-23(17-28)19-37-34-31(36)21-38-35(42-34)41-29-20-39-45(22-29)11-8-43-6-9-44(10-7-43)33(47)18-30-26-13-24-12-25(15-26)16-27(30)14-24/h2-5,17,20-22,24-27,30H,1,6-16,18-19H2,(H,40,46)(H2,37,38,41,42)/t24-,25?,26-,27?,30?/s2
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n/an/a 1.37E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364422
PNG
(US9862688, Compound 7)
Show SMILES Clc1cnc(Nc2cnn(c2)C2CCN(CCNC(=O)CC3[C@H]4C[C@@H]5C[C@H](C[C@@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C36H46ClN9O2/c1-2-33(47)42-28-5-3-4-23(17-28)19-39-35-32(37)21-40-36(44-35)43-29-20-41-46(22-29)30-6-9-45(10-7-30)11-8-38-34(48)18-31-26-13-24-12-25(15-26)16-27(31)14-24/h2-5,17,20-22,24-27,30-31H,1,6-16,18-19H2,(H,38,48)(H,42,47)(H2,39,40,43,44)/t24-,25-,26-,27-,31?
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n/an/a 1.44E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM364403
PNG
(US9862688, Compound 2)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(CCCNC(=O)CC2[C@H]3C[C@@H]4C[C@H](C[C@@H]2C4)C3)CC1
Show InChI InChI=1/C40H51ClN8O3/c1-3-37(50)45-31-7-4-6-26(21-31)24-43-39-34(41)25-44-40(47-39)46-35-9-8-32(22-36(35)52-2)49-14-12-48(13-15-49)11-5-10-42-38(51)23-33-29-17-27-16-28(19-29)20-30(33)18-27/h3-4,6-9,21-22,25,27-30,33H,1,5,10-20,23-24H2,2H3,(H,42,51)(H,45,50)(H2,43,44,46,47)/t27-,28-,29-,30-,33?
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n/an/a 1.82E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM364418
PNG
(US9862688, Compound 5)
Show SMILES Clc1cnc(Nc2cnn(CCN3CCN(CC3)C(=O)CC3C4C[C@@H]5CC(C4)C[C@H]3C5)c2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C35H44ClN9O2/c1-2-32(46)40-28-5-3-4-23(17-28)19-37-34-31(36)21-38-35(42-34)41-29-20-39-45(22-29)11-8-43-6-9-44(10-7-43)33(47)18-30-26-13-24-12-25(15-26)16-27(30)14-24/h2-5,17,20-22,24-27,30H,1,6-16,18-19H2,(H,40,46)(H2,37,38,41,42)/t24-,25?,26-,27?,30?/s2
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n/an/a 1.97E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364420
PNG
(US9862688, Compound 6)
Show SMILES Clc1cnc(Nc2cnn(c2)C2CCN(CC2)C(=O)CC2[C@H]3CC4C[C@@H](C[C@H]2C4)C3)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C34H41ClN8O2/c1-2-31(44)39-26-5-3-4-21(15-26)17-36-33-30(35)19-37-34(41-33)40-27-18-38-43(20-27)28-6-8-42(9-7-28)32(45)16-29-24-11-22-10-23(13-24)14-25(29)12-22/h2-5,15,18-20,22-25,28-29H,1,6-14,16-17H2,(H,39,44)(H2,36,37,40,41)/t22-,23?,24-,25+,29?
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n/an/a 2.08E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM364410
PNG
(US9862688, Compound 3)
Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCN(CCCNC(=O)CC3[C@H]4C[C@@H]5C[C@H](C[C@@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C39H49ClN8O2/c1-2-36(49)44-32-6-3-5-26(22-32)24-42-38-35(40)25-43-39(46-38)45-31-7-9-33(10-8-31)48-15-13-47(14-16-48)12-4-11-41-37(50)23-34-29-18-27-17-28(20-29)21-30(34)19-27/h2-3,5-10,22,25,27-30,34H,1,4,11-21,23-24H2,(H,41,50)(H,44,49)(H2,42,43,45,46)/t27-,28-,29-,30-,34?
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n/an/a 2.26E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM364422
PNG
(US9862688, Compound 7)
Show SMILES Clc1cnc(Nc2cnn(c2)C2CCN(CCNC(=O)CC3[C@H]4C[C@@H]5C[C@H](C[C@@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C36H46ClN9O2/c1-2-33(47)42-28-5-3-4-23(17-28)19-39-35-32(37)21-40-36(44-35)43-29-20-41-46(22-29)30-6-9-45(10-7-30)11-8-38-34(48)18-31-26-13-24-12-25(15-26)16-27(31)14-24/h2-5,17,20-22,24-27,30-31H,1,6-16,18-19H2,(H,38,48)(H,42,47)(H2,39,40,43,44)/t24-,25-,26-,27-,31?
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n/an/a 2.28E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM364373
PNG
(US9862688, Compound 1)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(CCNC(=O)CC2[C@H]3CC4C[C@@H](C[C@@H]2C4)C3)CC1
Show InChI InChI=1/C39H49ClN8O3/c1-3-36(49)44-30-6-4-5-25(20-30)23-42-38-33(40)24-43-39(46-38)45-34-8-7-31(21-35(34)51-2)48-13-11-47(12-14-48)10-9-41-37(50)22-32-28-16-26-15-27(18-28)19-29(32)17-26/h3-8,20-21,24,26-29,32H,1,9-19,22-23H2,2H3,(H,41,50)(H,44,49)(H2,42,43,45,46)/t26-,27?,28-,29-,32?/s2
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n/an/a 2.99E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM364403
PNG
(US9862688, Compound 2)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(CCCNC(=O)CC2[C@H]3C[C@@H]4C[C@H](C[C@@H]2C4)C3)CC1
Show InChI InChI=1/C40H51ClN8O3/c1-3-37(50)45-31-7-4-6-26(21-31)24-43-39-34(41)25-44-40(47-39)46-35-9-8-32(22-36(35)52-2)49-14-12-48(13-15-49)11-5-10-42-38(51)23-33-29-17-27-16-28(19-29)20-30(33)18-27/h3-4,6-9,21-22,25,27-30,33H,1,5,10-20,23-24H2,2H3,(H,42,51)(H,45,50)(H2,43,44,46,47)/t27-,28-,29-,30-,33?
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n/an/a 3.04E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364403
PNG
(US9862688, Compound 2)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(CCCNC(=O)CC2[C@H]3C[C@@H]4C[C@H](C[C@@H]2C4)C3)CC1
Show InChI InChI=1/C40H51ClN8O3/c1-3-37(50)45-31-7-4-6-26(21-31)24-43-39-34(41)25-44-40(47-39)46-35-9-8-32(22-36(35)52-2)49-14-12-48(13-15-49)11-5-10-42-38(51)23-33-29-17-27-16-28(19-29)20-30(33)18-27/h3-4,6-9,21-22,25,27-30,33H,1,5,10-20,23-24H2,2H3,(H,42,51)(H,45,50)(H2,43,44,46,47)/t27-,28-,29-,30-,33?
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n/an/a 3.11E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364420
PNG
(US9862688, Compound 6)
Show SMILES Clc1cnc(Nc2cnn(c2)C2CCN(CC2)C(=O)CC2[C@H]3CC4C[C@@H](C[C@H]2C4)C3)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C34H41ClN8O2/c1-2-31(44)39-26-5-3-4-21(15-26)17-36-33-30(35)19-37-34(41-33)40-27-18-38-43(20-27)28-6-8-42(9-7-28)32(45)16-29-24-11-22-10-23(13-24)14-25(29)12-22/h2-5,15,18-20,22-25,28-29H,1,6-14,16-17H2,(H,39,44)(H2,36,37,40,41)/t22-,23?,24-,25+,29?
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n/an/a 3.18E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364403
PNG
(US9862688, Compound 2)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(CCCNC(=O)CC2[C@H]3C[C@@H]4C[C@H](C[C@@H]2C4)C3)CC1
Show InChI InChI=1/C40H51ClN8O3/c1-3-37(50)45-31-7-4-6-26(21-31)24-43-39-34(41)25-44-40(47-39)46-35-9-8-32(22-36(35)52-2)49-14-12-48(13-15-49)11-5-10-42-38(51)23-33-29-17-27-16-28(19-29)20-30(33)18-27/h3-4,6-9,21-22,25,27-30,33H,1,5,10-20,23-24H2,2H3,(H,42,51)(H,45,50)(H2,43,44,46,47)/t27-,28-,29-,30-,33?
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n/an/a 3.35E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364373
PNG
(US9862688, Compound 1)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(CCNC(=O)CC2[C@H]3CC4C[C@@H](C[C@@H]2C4)C3)CC1
Show InChI InChI=1/C39H49ClN8O3/c1-3-36(49)44-30-6-4-5-25(20-30)23-42-38-33(40)24-43-39(46-38)45-34-8-7-31(21-35(34)51-2)48-13-11-47(12-14-48)10-9-41-37(50)22-32-28-16-26-15-27(18-28)19-29(32)17-26/h3-8,20-21,24,26-29,32H,1,9-19,22-23H2,2H3,(H,41,50)(H,44,49)(H2,42,43,45,46)/t26-,27?,28-,29-,32?/s2
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n/an/a 4.04E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM364373
PNG
(US9862688, Compound 1)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(CCNC(=O)CC2[C@H]3CC4C[C@@H](C[C@@H]2C4)C3)CC1
Show InChI InChI=1/C39H49ClN8O3/c1-3-36(49)44-30-6-4-5-25(20-30)23-42-38-33(40)24-43-39(46-38)45-34-8-7-31(21-35(34)51-2)48-13-11-47(12-14-48)10-9-41-37(50)22-32-28-16-26-15-27(18-28)19-29(32)17-26/h3-8,20-21,24,26-29,32H,1,9-19,22-23H2,2H3,(H,41,50)(H,44,49)(H2,42,43,45,46)/t26-,27?,28-,29-,32?/s2
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n/an/a 7.95E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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


(Homo sapiens (Human))
BDBM364373
PNG
(US9862688, Compound 1)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(CCNC(=O)CC2[C@H]3CC4C[C@@H](C[C@@H]2C4)C3)CC1
Show InChI InChI=1/C39H49ClN8O3/c1-3-36(49)44-30-6-4-5-25(20-30)23-42-38-33(40)24-43-39(46-38)45-34-8-7-31(21-35(34)51-2)48-13-11-47(12-14-48)10-9-41-37(50)22-32-28-16-26-15-27(18-28)19-29(32)17-26/h3-8,20-21,24,26-29,32H,1,9-19,22-23H2,2H3,(H,41,50)(H,44,49)(H2,42,43,45,46)/t26-,27?,28-,29-,32?/s2
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n/an/a 8.34E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

More data for this
Ligand-Target Pair
UMP-CMP kinase (CMK1)


(Homo Sapiens (Human))
BDBM364417
PNG
(US9862688, Compound 4)
Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCN(CCCCNC(=O)CC3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C40H51ClN8O2/c1-2-37(50)45-33-7-5-6-27(23-33)25-43-39-36(41)26-44-40(47-39)46-32-8-10-34(11-9-32)49-16-14-48(15-17-49)13-4-3-12-42-38(51)24-35-30-19-28-18-29(21-30)22-31(35)20-28/h2,5-11,23,26,28-31,35H,1,3-4,12-22,24-25H2,(H,42,51)(H,45,50)(H2,43,44,46,47)/t28-,29+,30-,31+,35?
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n/an/a 3.80E+4n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

More data for this
Ligand-Target Pair
Neuronal Krueppel-like protein (NKL)


(Homo Sapiens (Human))
BDBM364403
PNG
(US9862688, Compound 2)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(CCCNC(=O)CC2[C@H]3C[C@@H]4C[C@H](C[C@@H]2C4)C3)CC1
Show InChI InChI=1/C40H51ClN8O3/c1-3-37(50)45-31-7-4-6-26(21-31)24-43-39-34(41)25-44-40(47-39)46-35-9-8-32(22-36(35)52-2)49-14-12-48(13-15-49)11-5-10-42-38(51)23-33-29-17-27-16-28(19-29)20-30(33)18-27/h3-4,6-9,21-22,25,27-30,33H,1,5,10-20,23-24H2,2H3,(H,42,51)(H,45,50)(H2,43,44,46,47)/t27-,28-,29-,30-,33?
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n/an/a 1.93E+5n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

More data for this
Ligand-Target Pair
UMP-CMP kinase (CMK1)


(Homo Sapiens (Human))
BDBM364403
PNG
(US9862688, Compound 2)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(CCCNC(=O)CC2[C@H]3C[C@@H]4C[C@H](C[C@@H]2C4)C3)CC1
Show InChI InChI=1/C40H51ClN8O3/c1-3-37(50)45-31-7-4-6-26(21-31)24-43-39-34(41)25-44-40(47-39)46-35-9-8-32(22-36(35)52-2)49-14-12-48(13-15-49)11-5-10-42-38(51)23-33-29-17-27-16-28(19-29)20-30(33)18-27/h3-4,6-9,21-22,25,27-30,33H,1,5,10-20,23-24H2,2H3,(H,42,51)(H,45,50)(H2,43,44,46,47)/t27-,28-,29-,30-,33?
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n/an/a 2.73E+5n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

More data for this
Ligand-Target Pair
UMP-CMP kinase (CMK1)


(Homo Sapiens (Human))
BDBM364410
PNG
(US9862688, Compound 3)
Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCN(CCCNC(=O)CC3[C@H]4C[C@@H]5C[C@H](C[C@@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1/C39H49ClN8O2/c1-2-36(49)44-32-6-3-5-26(22-32)24-42-38-35(40)25-43-39(46-38)45-31-7-9-33(10-8-31)48-15-13-47(14-16-48)12-4-11-41-37(50)23-34-29-18-27-17-28(20-29)21-30(34)19-27/h2-3,5-10,22,25,27-30,34H,1,4,11-21,23-24H2,(H,41,50)(H,44,49)(H2,42,43,45,46)/t27-,28-,29-,30-,34?
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n/an/a 4.90E+5n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

More data for this
Ligand-Target Pair
UMP-CMP kinase (CMK1)


(Homo Sapiens (Human))
BDBM364373
PNG
(US9862688, Compound 1)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(CCNC(=O)CC2[C@H]3CC4C[C@@H](C[C@@H]2C4)C3)CC1
Show InChI InChI=1/C39H49ClN8O3/c1-3-36(49)44-30-6-4-5-25(20-30)23-42-38-33(40)24-43-39(46-38)45-34-8-7-31(21-35(34)51-2)48-13-11-47(12-14-48)10-9-41-37(50)22-32-28-16-26-15-27(18-28)19-29(32)17-26/h3-8,20-21,24,26-29,32H,1,9-19,22-23H2,2H3,(H,41,50)(H,44,49)(H2,42,43,45,46)/t26-,27?,28-,29-,32?/s2
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n/an/a 7.26E+5n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay...


US Patent US9862688 (2018)

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