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Patent code US9999619

Compile Data Set for Download or QSAR

Found 794 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 JAK2


(Homo sapiens (Human))		BDBM400285
PNG
(US9999619, Example 40)
Show SMILES COc1cccc(F)c1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H27FN8O2/c1-38-22-4-2-3-21(28)23(22)26(37)34-11-6-19(7-12-34)35-15-27(16-35,8-9-29)36-14-18(13-33-36)24-20-5-10-30-25(20)32-17-31-24/h2-5,10,13-14,17,19H,6-8,11-12,15-16H2,1H3,(H,30,31,32)
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400287
PNG
(US9999619, Example 42)
Show SMILES Fc1cccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1F
Show InChI InChI=1S/C26H24F2N8O/c27-21-3-1-2-19(22(21)28)25(37)34-10-5-18(6-11-34)35-14-26(15-35,7-8-29)36-13-17(12-33-36)23-20-4-9-30-24(20)32-16-31-23/h1-4,9,12-13,16,18H,5-7,10-11,14-15H2,(H,30,31,32)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400292
PNG
(US9999619, Example 47)
Show SMILES Fc1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1F
Show InChI InChI=1S/C26H23F3N8O/c27-20-2-1-18(21(28)22(20)29)25(38)35-9-4-17(5-10-35)36-13-26(14-36,6-7-30)37-12-16(11-34-37)23-19-3-8-31-24(19)33-15-32-23/h1-3,8,11-12,15,17H,4-6,9-10,13-14H2,(H,31,32,33)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400327
PNG
(US9999619, Example 82)
Show SMILES COc1ccsc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C25H26N8O2S/c1-35-20-5-11-36-22(20)24(34)31-9-3-18(4-10-31)32-14-25(15-32,6-7-26)33-13-17(12-30-33)21-19-2-8-27-23(19)29-16-28-21/h2,5,8,11-13,16,18H,3-4,6,9-10,14-15H2,1H3,(H,27,28,29)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400332
PNG
(US9999619, Example 87)
Show SMILES FC(F)(F)c1cncc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C25H23F3N10O/c26-25(27,28)20-11-30-10-19(35-20)23(39)36-7-2-17(3-8-36)37-13-24(14-37,4-5-29)38-12-16(9-34-38)21-18-1-6-31-22(18)33-15-32-21/h1,6,9-12,15,17H,2-4,7-8,13-14H2,(H,31,32,33)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400374
PNG
(US9999619, Example 129)
Show SMILES Fc1cc(cc(c1)-c1ccc(cc1F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C#N
Show InChI InChI=1S/C33H27F2N9O/c34-25-12-21(15-37)11-23(13-25)27-2-1-22(14-29(27)35)32(45)42-9-4-26(5-10-42)43-18-33(19-43,6-7-36)44-17-24(16-41-44)30-28-3-8-38-31(28)40-20-39-30/h1-3,8,11-14,16-17,20,26H,4-6,9-10,18-19H2,(H,38,39,40)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400421
PNG
(US9999619, Example 176)
Show SMILES Fc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)cc1F
Show InChI InChI=1S/C26H25F2N9O/c27-21-2-1-18(11-22(21)28)34-25(38)35-9-4-19(5-10-35)36-14-26(15-36,6-7-29)37-13-17(12-33-37)23-20-3-8-30-24(20)32-16-31-23/h1-3,8,11-13,16,19H,4-6,9-10,14-15H2,(H,34,38)(H,30,31,32)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400428
PNG
(US9999619, Example 183)
Show SMILES Clc1cccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1
Show InChI InChI=1S/C26H26ClN9O/c27-19-2-1-3-20(12-19)33-25(37)34-10-5-21(6-11-34)35-15-26(16-35,7-8-28)36-14-18(13-32-36)23-22-4-9-29-24(22)31-17-30-23/h1-4,9,12-14,17,21H,5-7,10-11,15-16H2,(H,33,37)(H,29,30,31)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400452
PNG
(US9999619, Example 207)
Show SMILES COC(=O)c1cc(F)ccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C28H28FN9O3/c1-41-26(39)22-12-19(29)2-3-23(22)35-27(40)36-10-5-20(6-11-36)37-15-28(16-37,7-8-30)38-14-18(13-34-38)24-21-4-9-31-25(21)33-17-32-24/h2-4,9,12-14,17,20H,5-7,10-11,15-16H2,1H3,(H,35,40)(H,31,32,33)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400495
PNG
(US9999619, Example 251)
Show SMILES Cn1ccc(n1)S(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C23H26N10O2S/c1-30-9-5-20(29-30)36(34,35)32-10-3-18(4-11-32)31-14-23(15-31,6-7-24)33-13-17(12-28-33)21-19-2-8-25-22(19)27-16-26-21/h2,5,8-9,12-13,16,18H,3-4,6,10-11,14-15H2,1H3,(H,25,26,27)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400524
PNG
(US9999619, Example 280)
Show SMILES Fc1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2ccc(c2)-c2ncnc3[nH]ccc23)c(F)c1F
Show InChI InChI=1S/C27H24F3N7O/c28-21-2-1-19(22(29)23(21)30)26(38)35-10-5-18(6-11-35)36-14-27(15-36,7-8-31)37-12-4-17(13-37)24-20-3-9-32-25(20)34-16-33-24/h1-4,9,12-13,16,18H,5-7,10-11,14-15H2,(H,32,33,34)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400281
PNG
(US9999619, Example 37)
Show SMILES COc1cc(F)cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H27FN8O2/c1-38-22-11-18(10-20(28)12-22)26(37)34-8-3-21(4-9-34)35-15-27(16-35,5-6-29)36-14-19(13-33-36)24-23-2-7-30-25(23)32-17-31-24/h2,7,10-14,17,21H,3-5,8-9,15-16H2,1H3,(H,30,31,32)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400305
PNG
(US9999619, Example 60)
Show SMILES CN(C)c1ccc(cc1C#N)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C29H30N10O/c1-36(2)25-4-3-20(13-21(25)14-31)28(40)37-11-6-23(7-12-37)38-17-29(18-38,8-9-30)39-16-22(15-35-39)26-24-5-10-32-27(24)34-19-33-26/h3-5,10,13,15-16,19,23H,6-8,11-12,17-18H2,1-2H3,(H,32,33,34)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400320
PNG
(US9999619, Example 75)
Show SMILES COc1c(Cl)scc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C25H25ClN8O2S/c1-36-21-19(12-37-22(21)26)24(35)32-8-3-17(4-9-32)33-13-25(14-33,5-6-27)34-11-16(10-31-34)20-18-2-7-28-23(18)30-15-29-20/h2,7,10-12,15,17H,3-5,8-9,13-14H2,1H3,(H,28,29,30)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400392
PNG
(US9999619, Example 147)
Show SMILES O=C(C1CCOCC1)N1C2CCC1CC(C2)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400411
PNG
(US9999619, Example 166)
Show SMILES FC(F)(F)c1cccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1
Show InChI InChI=1S/C27H26F3N9O/c28-27(29,30)19-2-1-3-20(12-19)36-25(40)37-10-5-21(6-11-37)38-15-26(16-38,7-8-31)39-14-18(13-35-39)23-22-4-9-32-24(22)34-17-33-23/h1-4,9,12-14,17,21H,5-7,10-11,15-16H2,(H,36,40)(H,32,33,34)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400413
PNG
(US9999619, Example 168)
Show SMILES Cc1ccc(Cl)cc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H28ClN9O/c1-18-2-3-20(28)12-23(18)34-26(38)35-10-5-21(6-11-35)36-15-27(16-36,7-8-29)37-14-19(13-33-37)24-22-4-9-30-25(22)32-17-31-24/h2-4,9,12-14,17,21H,5-7,10-11,15-16H2,1H3,(H,34,38)(H,30,31,32)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400423
PNG
(US9999619, Example 178)
Show SMILES Fc1cc(Cl)ccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C26H25ClFN9O/c27-18-1-2-22(21(28)11-18)34-25(38)35-9-4-19(5-10-35)36-14-26(15-36,6-7-29)37-13-17(12-33-37)23-20-3-8-30-24(20)32-16-31-23/h1-3,8,11-13,16,19H,4-6,9-10,14-15H2,(H,34,38)(H,30,31,32)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400473
PNG
(US9999619, Example 228)
Show SMILES Fc1ccc(Cl)c(F)c1CN1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C26H25ClF2N8/c27-21-1-2-22(28)20(23(21)29)13-35-9-4-18(5-10-35)36-14-26(15-36,6-7-30)37-12-17(11-34-37)24-19-3-8-31-25(19)33-16-32-24/h1-3,8,11-12,16,18H,4-6,9-10,13-15H2,(H,31,32,33)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400486
PNG
(US9999619, Example 241 | {1-[8-(2-Chloro-3,6-diflu...)
Show SMILES Fc1ccc(F)c(CN2C3CCC2CC(C3)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1Cl
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400502
PNG
(US9999619, Example 258)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C23H26N10O2S/c1-30-12-20(28-16-30)36(34,35)32-8-3-18(4-9-32)31-13-23(14-31,5-6-24)33-11-17(10-29-33)21-19-2-7-25-22(19)27-15-26-21/h2,7,10-12,15-16,18H,3-5,8-9,13-14H2,1H3,(H,25,26,27)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400541
PNG
(US9999619, Example 297)
Show SMILES Oc1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ccnc3[nH]ccc23)c(F)c1
Show InChI InChI=1S/C27H26FN7O2/c28-24-13-20(36)1-2-23(24)26(37)33-11-5-19(6-12-33)34-16-27(17-34,7-8-29)35-15-18(14-32-35)21-3-9-30-25-22(21)4-10-31-25/h1-4,9-10,13-15,19,36H,5-7,11-12,16-17H2,(H,30,31)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400567
PNG
(US9999619, Example 323)
Show SMILES Oc1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2c(F)cnc3[nH]ccc23)c(F)c1
Show InChI InChI=1S/C27H25F2N7O2/c28-22-11-19(37)1-2-20(22)26(38)34-9-4-18(5-10-34)35-15-27(16-35,6-7-30)36-14-17(12-33-36)24-21-3-8-31-25(21)32-13-23(24)29/h1-3,8,11-14,18,37H,4-6,9-10,15-16H2,(H,31,32)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400579
PNG
(US9999619, Example 335)
Show SMILES Brc1ccc(Br)c(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N
Show InChI InChI=1S/C28H24Br2N8O/c29-20-1-2-24(30)23(11-20)27(39)36-9-4-21(5-10-36)37-16-28(17-37,6-7-31)38-15-19(14-35-38)25-18(12-32)13-34-26-22(25)3-8-33-26/h1-3,8,11,13-15,21H,4-6,9-10,16-17H2,(H,33,34)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400264
PNG
(US9999619, Example 20)
Show SMILES Clc1cccc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C26H25ClN8O/c27-20-3-1-2-18(12-20)25(36)33-10-5-21(6-11-33)34-15-26(16-34,7-8-28)35-14-19(13-32-35)23-22-4-9-29-24(22)31-17-30-23/h1-4,9,12-14,17,21H,5-7,10-11,15-16H2,(H,29,30,31)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400277
PNG
(US9999619, Example 33)
Show SMILES COc1c(F)c(F)cc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1F
Show InChI InChI=1S/C27H25F3N8O2/c1-40-24-21(29)19(10-20(28)22(24)30)26(39)36-8-3-17(4-9-36)37-13-27(14-37,5-6-31)38-12-16(11-35-38)23-18-2-7-32-25(18)34-15-33-23/h2,7,10-12,15,17H,3-5,8-9,13-14H2,1H3,(H,32,33,34)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400294
PNG
(US9999619, Example 49)
Show SMILES Fc1cc(F)c(cc1F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C26H23F3N8O/c27-20-10-22(29)21(28)9-19(20)25(38)35-7-2-17(3-8-35)36-13-26(14-36,4-5-30)37-12-16(11-34-37)23-18-1-6-31-24(18)33-15-32-23/h1,6,9-12,15,17H,2-4,7-8,13-14H2,(H,31,32,33)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400312
PNG
(US9999619, Example 67)
Show SMILES Fc1cc(ccc1C#N)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H24FN9O/c28-23-11-18(1-2-19(23)12-30)26(38)35-9-4-21(5-10-35)36-15-27(16-36,6-7-29)37-14-20(13-34-37)24-22-3-8-31-25(22)33-17-32-24/h1-3,8,11,13-14,17,21H,4-6,9-10,15-16H2,(H,31,32,33)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400318
PNG
(US9999619, Example 73)
Show SMILES Oc1cscc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C24H24N8O2S/c25-5-4-24(32-10-16(9-29-32)21-18-1-6-26-22(18)28-15-27-21)13-31(14-24)17-2-7-30(8-3-17)23(34)19-11-35-12-20(19)33/h1,6,9-12,15,17,33H,2-4,7-8,13-14H2,(H,26,27,28)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400326
PNG
(US9999619, Example 81)
Show SMILES Cc1ccc(s1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C25H26N8OS/c1-17-2-3-21(35-17)24(34)31-10-5-19(6-11-31)32-14-25(15-32,7-8-26)33-13-18(12-30-33)22-20-4-9-27-23(20)29-16-28-22/h2-4,9,12-13,16,19H,5-7,10-11,14-15H2,1H3,(H,27,28,29)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400420
PNG
(US9999619, Example 175)
Show SMILES Fc1cc(F)cc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1
Show InChI InChI=1S/C26H25F2N9O/c27-18-9-19(28)11-20(10-18)34-25(38)35-7-2-21(3-8-35)36-14-26(15-36,4-5-29)37-13-17(12-33-37)23-22-1-6-30-24(22)32-16-31-23/h1,6,9-13,16,21H,2-4,7-8,14-15H2,(H,34,38)(H,30,31,32)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400429
PNG
(US9999619, Example 184)
Show SMILES Clc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)cc1
Show InChI InChI=1S/C26H26ClN9O/c27-19-1-3-20(4-2-19)33-25(37)34-11-6-21(7-12-34)35-15-26(16-35,8-9-28)36-14-18(13-32-36)23-22-5-10-29-24(22)31-17-30-23/h1-5,10,13-14,17,21H,6-8,11-12,15-16H2,(H,33,37)(H,29,30,31)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400438
PNG
(US9999619, Example 193)
Show SMILES O=C(Nc1nc2ccccc2s1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H26N10OS/c28-9-8-27(37-14-18(13-32-37)23-20-5-10-29-24(20)31-17-30-23)15-36(16-27)19-6-11-35(12-7-19)26(38)34-25-33-21-3-1-2-4-22(21)39-25/h1-5,10,13-14,17,19H,6-8,11-12,15-16H2,(H,29,30,31)(H,33,34,38)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400517
PNG
(US9999619, Example 273)
Show SMILES Fc1ccc(cc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12)C(F)(F)F
Show InChI InChI=1S/C28H25F4N7O/c29-23-2-1-19(28(30,31)32)13-22(23)26(40)37-10-5-20(6-11-37)38-15-27(16-38,7-8-33)39-12-4-18(14-39)24-21-3-9-34-25(21)36-17-35-24/h1-4,9,12-14,17,20H,5-7,10-11,15-16H2,(H,34,35,36)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400273
PNG
(US9999619, Example 29)
Show SMILES Fc1cc(Cl)cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C26H24ClFN8O/c27-19-9-17(10-20(28)11-19)25(37)34-7-2-21(3-8-34)35-14-26(15-35,4-5-29)36-13-18(12-33-36)23-22-1-6-30-24(22)32-16-31-23/h1,6,9-13,16,21H,2-4,7-8,14-15H2,(H,30,31,32)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400274
PNG
(US9999619, Example 30)
Show SMILES Fc1cc(Br)cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C26H24BrFN8O/c27-19-9-17(10-20(28)11-19)25(37)34-7-2-21(3-8-34)35-14-26(15-35,4-5-29)36-13-18(12-33-36)23-22-1-6-30-24(22)32-16-31-23/h1,6,9-13,16,21H,2-4,7-8,14-15H2,(H,30,31,32)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400286
PNG
(US9999619, Example 41)
Show SMILES COc1cc(F)ccc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H27FN8O2/c1-38-23-12-19(28)2-3-21(23)26(37)34-10-5-20(6-11-34)35-15-27(16-35,7-8-29)36-14-18(13-33-36)24-22-4-9-30-25(22)32-17-31-24/h2-4,9,12-14,17,20H,5-7,10-11,15-16H2,1H3,(H,30,31,32)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400315
PNG
(US9999619, Example 70)
Show SMILES O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1cccs1
Show InChI InChI=1S/C24H24N8OS/c25-7-6-24(32-13-17(12-29-32)21-19-3-8-26-22(19)28-16-27-21)14-31(15-24)18-4-9-30(10-5-18)23(33)20-2-1-11-34-20/h1-3,8,11-13,16,18H,4-6,9-10,14-15H2,(H,26,27,28)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400341
PNG
(US9999619, Example 96)
Show SMILES FC(F)(F)c1cccc2cc(sc12)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C29H25F3N8OS/c30-29(31,32)22-3-1-2-18-12-23(42-25(18)22)27(41)38-10-5-20(6-11-38)39-15-28(16-39,7-8-33)40-14-19(13-37-40)24-21-4-9-34-26(21)36-17-35-24/h1-4,9,12-14,17,20H,5-7,10-11,15-16H2,(H,34,35,36)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400386
PNG
(US9999619, Example 141)
Show SMILES Fc1cc(ccc1C#N)C(=O)N1C2CCC1CC(C2)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400477
PNG
(US9999619, Example 232)
Show SMILES N#CCC1(CN(C1)C1CCN(Cc2cc3ccccc3o2)CC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C28H28N8O/c29-9-8-28(36-15-21(14-33-36)26-24-5-10-30-27(24)32-19-31-26)17-35(18-28)22-6-11-34(12-7-22)16-23-13-20-3-1-2-4-25(20)37-23/h1-5,10,13-15,19,22H,6-8,11-12,16-18H2,(H,30,31,32)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400491
PNG
(US9999619, Example 247)
Show SMILES O=S(=O)(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1ccccc1C#N
Show InChI InChI=1S/C26H25N9O2S/c27-9-8-26(35-15-20(14-32-35)24-22-5-10-29-25(22)31-18-30-24)16-33(17-26)21-6-11-34(12-7-21)38(36,37)23-4-2-1-3-19(23)13-28/h1-5,10,14-15,18,21H,6-8,11-12,16-17H2,(H,29,30,31)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400497
PNG
(US9999619, Example 253)
Show SMILES O=S(=O)(C1CCCC1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C24H30N8O2S/c25-9-8-24(32-14-18(13-29-32)22-21-5-10-26-23(21)28-17-27-22)15-30(16-24)19-6-11-31(12-7-19)35(33,34)20-3-1-2-4-20/h5,10,13-14,17,19-20H,1-4,6-8,11-12,15-16H2,(H,26,27,28)
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400520
PNG
(US9999619, Example 276)
Show SMILES Fc1cccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2ccc(c2)-c2ncnc3[nH]ccc23)c1F
Show InChI InChI=1S/C27H25F2N7O/c28-22-3-1-2-20(23(22)29)26(37)34-11-6-19(7-12-34)35-15-27(16-35,8-9-30)36-13-5-18(14-36)24-21-4-10-31-25(21)33-17-32-24/h1-5,10,13-14,17,19H,6-8,11-12,15-16H2,(H,31,32,33)
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400523
PNG
(US9999619, Example 279)
Show SMILES Fc1cccc(F)c1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H25F2N7O/c28-21-2-1-3-22(29)23(21)26(37)34-11-6-19(7-12-34)35-15-27(16-35,8-9-30)36-13-5-18(14-36)24-20-4-10-31-25(20)33-17-32-24/h1-5,10,13-14,17,19H,6-8,11-12,15-16H2,(H,31,32,33)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400532
PNG
(US9999619, Example 288)
Show SMILES COc1ccccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C28H30N8O2/c1-38-24-5-3-2-4-23(24)33-27(37)34-13-8-21(9-14-34)35-17-28(18-35,10-11-29)36-15-7-20(16-36)25-22-6-12-30-26(22)32-19-31-25/h2-7,12,15-16,19,21H,8-10,13-14,17-18H2,1H3,(H,33,37)(H,30,31,32)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400263
PNG
(US9999619, Example 19)
Show SMILES Fc1cc(cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C#N
Show InChI InChI=1S/C27H24FN9O/c28-21-10-18(12-30)9-19(11-21)26(38)35-7-2-22(3-8-35)36-15-27(16-36,4-5-29)37-14-20(13-34-37)24-23-1-6-31-25(23)33-17-32-24/h1,6,9-11,13-14,17,22H,2-4,7-8,15-16H2,(H,31,32,33)
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Incyte Holdings Corporation

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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400270
PNG
(US9999619, Example 26)
Show SMILES Fc1cccc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C26H25FN8O/c27-20-3-1-2-18(12-20)25(36)33-10-5-21(6-11-33)34-15-26(16-34,7-8-28)35-14-19(13-32-35)23-22-4-9-29-24(22)31-17-30-23/h1-4,9,12-14,17,21H,5-7,10-11,15-16H2,(H,29,30,31)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400280
PNG
(US9999619, Example 36)
Show SMILES Fc1ccc(cc1F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C26H24F2N8O/c27-21-2-1-17(11-22(21)28)25(37)34-9-4-19(5-10-34)35-14-26(15-35,6-7-29)36-13-18(12-33-36)23-20-3-8-30-24(20)32-16-31-23/h1-3,8,11-13,16,19H,4-6,9-10,14-15H2,(H,30,31,32)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM400289
PNG
(US9999619, Example 44)
Show SMILES Fc1ccc(F)c(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C26H24F2N8O/c27-18-1-2-22(28)21(11-18)25(37)34-9-4-19(5-10-34)35-14-26(15-35,6-7-29)36-13-17(12-33-36)23-20-3-8-30-24(20)32-16-31-23/h1-3,8,11-13,16,19H,4-6,9-10,14-15H2,(H,30,31,32)
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%