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Patent code US10053465

Compile Data Set for Download or QSAR

Found 286 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))
BDBM246870
PNG
(US10053465, 9 | US10065963, Compound 9 | US1012515...)
Show SMILES FC(F)(F)c1nccc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C25H23F3N10O/c26-25(27,28)23-31-8-2-19(35-23)22(39)36-9-3-17(4-10-36)37-13-24(14-37,5-6-29)38-12-16(11-34-38)20-18-1-7-30-21(18)33-15-32-20/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,30,32,33)
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246877
PNG
(4-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...)
Show SMILES C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F
Show InChI InChI=1S/C24H19F5N8O/c1-13(24(27,28)29)35-22(38)16-6-18(26)19(7-17(16)25)36-10-23(11-36,3-4-30)37-9-14(8-34-37)20-15-2-5-31-21(15)33-12-32-20/h2,5-9,12-13H,3,10-11H2,1H3,(H,35,38)(H,31,32,33)/t13-/m0/s1
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246883
PNG
(US10053465, 22 | US10065963, Compound 22 | US10125...)
Show SMILES O[C@H]1CCN(Cc2cc(O[C@H]3CC[C@H](CC3)N3CC(CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1
Show InChI InChI=1S/C31H34F3N9O2/c32-31(33,34)26-11-20(14-41-10-6-23(44)16-41)12-27(40-26)45-24-3-1-22(2-4-24)42-17-30(18-42,7-8-35)43-15-21(13-39-43)28-25-5-9-36-29(25)38-19-37-28/h5,9,11-13,15,19,22-24,44H,1-4,6-7,10,14,16-18H2,(H,36,37,38)/t22-,23-,24+/m0/s1
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246884
PNG
(US10053465, 23 | US10065963, Compound 23 | US10125...)
Show SMILES C[C@@H](CO)NCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C30H34F3N9O2/c1-19(17-43)36-14-20-10-25(30(31,32)33)40-26(11-20)44-23-3-8-41(9-4-23)22-12-29(13-22,5-6-34)42-16-21(15-39-42)27-24-2-7-35-28(24)38-18-37-27/h2,7,10-11,15-16,18-19,22-23,36,43H,3-5,8-9,12-14,17H2,1H3,(H,35,37,38)/t19-,22-,29-/m0/s1
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246882
PNG
(US10053465, 21 | US10065963, Compound 21 | US10125...)
Show SMILES O[C@@H]1CCN(Cc2cc(O[C@H]3CC[C@H](CC3)N3CC(CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1
Show InChI InChI=1S/C31H34F3N9O2/c32-31(33,34)26-11-20(14-41-10-6-23(44)16-41)12-27(40-26)45-24-3-1-22(2-4-24)42-17-30(18-42,7-8-35)43-15-21(13-39-43)28-25-5-9-36-29(25)38-19-37-28/h5,9,11-13,15,19,22-24,44H,1-4,6-7,10,14,16-18H2,(H,36,37,38)/t22-,23-,24+/m1/s1
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246881
PNG
(US10053465, 20 | US10065963, Compound 20 | US10125...)
Show SMILES CC(C)(O)c1cc(O[C@H]2CC[C@H](CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C29H31F3N8O2/c1-27(2,41)19-11-23(29(30,31)32)38-24(12-19)42-21-5-3-20(4-6-21)39-15-28(16-39,8-9-33)40-14-18(13-37-40)25-22-7-10-34-26(22)36-17-35-25/h7,10-14,17,20-21,41H,3-6,8,15-16H2,1-2H3,(H,34,35,36)/t20-,21+
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246874
PNG
(US10053465, 13 | US10065963, Compound 13 | US10125...)
Show SMILES OC[C@H]1CCCN1Cc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C32H36F3N9O2/c33-32(34,35)27-12-21(17-43-9-1-2-23(43)19-45)13-28(41-27)46-25-4-10-42(11-5-25)24-14-31(15-24,6-7-36)44-18-22(16-40-44)29-26-3-8-37-30(26)39-20-38-29/h3,8,12-13,16,18,20,23-25,45H,1-2,4-6,9-11,14-15,17,19H2,(H,37,38,39)/t23-,24-,31-/m1/s1
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246873
PNG
(US10053465, 12 | US10065963, Compound 12 | US10125...)
Show SMILES OC[C@@H]1CCCN1Cc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C32H36F3N9O2/c33-32(34,35)27-12-21(17-43-9-1-2-23(43)19-45)13-28(41-27)46-25-4-10-42(11-5-25)24-14-31(15-24,6-7-36)44-18-22(16-40-44)29-26-3-8-37-30(26)39-20-38-29/h3,8,12-13,16,18,20,23-25,45H,1-2,4-6,9-11,14-15,17,19H2,(H,37,38,39)/t23-,24-,31-/m0/s1
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246864
PNG
(3-(1- [1,3]oxazolo[5,4- b]pyridin-2- ylpyrrolidin-...)
Show SMILES N#CCC(C1CCN(C1)c1nc2cccnc2o1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C22H19N9O/c23-6-3-18(14-5-9-30(11-14)22-29-17-2-1-7-25-21(17)32-22)31-12-15(10-28-31)19-16-4-8-24-20(16)27-13-26-19/h1-2,4,7-8,10,12-14,18H,3,5,9,11H2,(H,24,26,27)
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246885
PNG
(US10053465, 24 | US10065963, Compound 25 | US10125...)
Show SMILES C[C@@H](O)CNCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C30H34F3N9O2/c1-19(43)14-35-15-20-10-25(30(31,32)33)40-26(11-20)44-23-3-8-41(9-4-23)22-12-29(13-22,5-6-34)42-17-21(16-39-42)27-24-2-7-36-28(24)38-18-37-27/h2,7,10-11,16-19,22-23,35,43H,3-5,8-9,12-15H2,1H3,(H,36,37,38)/t19-,22-,29-/m1/s1
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246869
PNG
(4-{3-(Cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...)
Show SMILES Fc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H25F4N9O/c28-18-1-2-22(21(11-18)27(29,30)31)37-25(41)38-9-4-19(5-10-38)39-14-26(15-39,6-7-32)40-13-17(12-36-40)23-20-3-8-33-24(20)35-16-34-23/h1-3,8,11-13,16,19H,4-6,9-10,14-15H2,(H,37,41)(H,33,34,35)
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246867
PNG
(4-[(4-{3-cyano-2-[3- (7H-pyrrolo[2,3- d]pyrimidin-...)
Show SMILES Fc1cc(ccc1C(=O)N1CCN(CC(CC#N)n2ccc(c2)-c2ncnc3[nH]ccc23)CC1)C#N
Show InChI InChI=1S/C26H23FN8O/c27-23-13-18(14-29)1-2-21(23)26(36)34-11-9-33(10-12-34)16-20(3-6-28)35-8-5-19(15-35)24-22-4-7-30-25(22)32-17-31-24/h1-2,4-5,7-8,13,15,17,20H,3,9-12,16H2,(H,30,31,32)
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246861
PNG
(3-[1-(6- chloropyridin-2- yl)pyrrolidin-3-yl]-3- [...)
Show SMILES Clc1cccc(n1)N1CCC(C1)C(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C21H19ClN8/c22-18-2-1-3-19(28-18)29-9-6-14(11-29)17(4-7-23)30-12-15(10-27-30)20-16-5-8-24-21(16)26-13-25-20/h1-3,5,8,10,12-14,17H,4,6,9,11H2,(H,24,25,26)
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246875
PNG
(4-(4-{3- [(dimethylamino) methyl]-5- fluorophenoxy...)
Show SMILES CN(C)Cc1cc(F)cc(OC2CCN(CC(CC#N)n3cc(cn3)-c3ncnc4[nH]ccc34)CC2)c1
Show InChI InChI=1S/C27H31FN8O/c1-34(2)15-19-11-21(28)13-24(12-19)37-23-5-9-35(10-6-23)17-22(3-7-29)36-16-20(14-33-36)26-25-4-8-30-27(25)32-18-31-26/h4,8,11-14,16,18,22-23H,3,5-6,9-10,15,17H2,1-2H3,(H,30,31,32)
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246876
PNG
(5-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...)
Show SMILES CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C22H22N10O/c1-14(2)30-21(33)17-8-26-18(9-25-17)31-11-22(12-31,4-5-23)32-10-15(7-29-32)19-16-3-6-24-20(16)28-13-27-19/h3,6-10,13-14H,4,11-12H2,1-2H3,(H,30,33)(H,24,27,28)
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246871
PNG
(US10053465, 10 | US10065963, Compound 10 | US10125...)
Show SMILES FC(F)(F)c1nccc(n1)C(=O)N1CCN(CC1)[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C25H23F3N10O/c26-25(27,28)23-31-6-2-19(35-23)22(39)37-9-7-36(8-10-37)17-11-24(12-17,3-4-29)38-14-16(13-34-38)20-18-1-5-30-21(18)33-15-32-20/h1-2,5-6,13-15,17H,3,7-12H2,(H,30,32,33)/t17-,24-
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246876
PNG
(5-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...)
Show SMILES CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C22H22N10O/c1-14(2)30-21(33)17-8-26-18(9-25-17)31-11-22(12-31,4-5-23)32-10-15(7-29-32)19-16-3-6-24-20(16)28-13-27-19/h3,6-10,13-14H,4,11-12H2,1-2H3,(H,30,33)(H,24,27,28)
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246880
PNG
(US10053465, 19 | US10065963, Compound 19 | US10125...)
Show SMILES CCNCc1cc(O[C@H]2CC[C@H](CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C29H32F3N9O/c1-2-34-13-19-11-24(29(30,31)32)39-25(12-19)42-22-5-3-21(4-6-22)40-16-28(17-40,8-9-33)41-15-20(14-38-41)26-23-7-10-35-27(23)37-18-36-26/h7,10-12,14-15,18,21-22,34H,2-6,8,13,16-17H2,1H3,(H,35,36,37)/t21-,22+
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Incyte Corporation

US Patent


Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246866
PNG
(4-[(4-{3-cyano-2-[4- (7H-pyrrolo[2,3- d]pyrimidin-...)
Show SMILES Fc1cc(ccc1C(=O)N1CCN(CC(CC#N)n2cc(cn2)-c2ncnc3[nH]ccc23)CC1)[N+]#[C-]
Show InChI InChI=1S/C25H22FN9O/c1-28-18-2-3-20(22(26)12-18)25(36)34-10-8-33(9-11-34)15-19(4-6-27)35-14-17(13-32-35)23-21-5-7-29-24(21)31-16-30-23/h2-3,5,7,12-14,16,19H,4,8-11,15H2,(H,29,30,31)
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246886
PNG
(US10053465, 25 | US10077277, Example 25 | US101251...)
Show SMILES C[C@H](O)CNCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C30H34F3N9O2/c1-19(43)14-35-15-20-10-25(30(31,32)33)40-26(11-20)44-23-3-8-41(9-4-23)22-12-29(13-22,5-6-34)42-17-21(16-39-42)27-24-2-7-36-28(24)38-18-37-27/h2,7,10-11,16-19,22-23,35,43H,3-5,8-9,12-15H2,1H3,(H,36,37,38)/t19-,22-,29-/m0/s1
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246868
PNG
(US10053465, 7 | US10065963, Compound 7 | US1012515...)
Show SMILES Fc1c(ccnc1C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C26H23F4N9O/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35)
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246872
PNG
(US10053465, 11 | US10065963, Compound 11 | US10125...)
Show SMILES OC1CN(Cc2cc(OC3CCN(CC3)[C@H]3C[C@@](CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1
Show InChI InChI=1S/C30H32F3N9O2/c31-30(32,33)25-9-19(14-40-16-22(43)17-40)10-26(39-25)44-23-2-7-41(8-3-23)21-11-29(12-21,4-5-34)42-15-20(13-38-42)27-24-1-6-35-28(24)37-18-36-27/h1,6,9-10,13,15,18,21-23,43H,2-4,7-8,11-12,14,16-17H2,(H,35,36,37)/t21-,29-
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246879
PNG
(US10053465, 18 | US10065963, Compound 18 | US10125...)
Show SMILES OCCc1cc(O[C@H]2CC[C@H](CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(n1)C(F)(F)F
Show InChI InChI=1S/C27H28F3N9O2/c28-27(29,30)25-36-18(6-10-40)11-22(37-25)41-20-3-1-19(2-4-20)38-14-26(15-38,7-8-31)39-13-17(12-35-39)23-21-5-9-32-24(21)34-16-33-23/h5,9,11-13,16,19-20,40H,1-4,6-7,10,14-15H2,(H,32,33,34)/t19-,20+
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246888
PNG
(US10053465, 26 | US10065963, Compound 26 | US10125...)
Show SMILES OCCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C28H29F3N8O2/c29-28(30,31)23-11-18(4-10-40)12-24(37-23)41-21-2-8-38(9-3-21)20-13-27(14-20,5-6-32)39-16-19(15-36-39)25-22-1-7-33-26(22)35-17-34-25/h1,7,11-12,15-17,20-21,40H,2-5,8-10,13-14H2,(H,33,34,35)/t20-,27-
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM246891
PNG
(4-[1-(4-amino-3-methyl- 1H-pyrazolo[3,4- d]pyrimid...)
Show SMILES COc1c(cc(Cl)c([N+]#[C-])c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C22H26ClN7O2/c1-11(31)7-29-8-14(9-29)18-19(25-4)16(23)6-15(20(18)32-5)13(3)30-22-17(12(2)28-30)21(24)26-10-27-22/h6,10-11,13-14,31H,7-9H2,1-3,5H3,(H2,24,26,27)/t11-,13?/m0/s1
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Assay Description
In some embodiments, the PI3Kδ inhibitor is selective. By ┐selective┐ is meant that the compound binds to or inhibits a kinase with greater aff...


US Patent US10053465 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM246893
PNG
(5-{3-[1-(4-amino-3- methyl-1H-pyrazolo[3,4 d]pyrim...)
Show SMILES CCOc1c(cc(C)c(C#N)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C26H28N8O2/c1-7-36-23-18(16(4)34-25-21(15(3)32-34)24(28)30-13-31-25)10-14(2)19(11-27)22(23)17-8-9-20(29-12-17)26(35)33(5)6/h8-10,12-13,16H,7H2,1-6H3,(H2,28,30,31)
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Assay Description
In some embodiments, the PI3Kδ inhibitor is selective. By ┐selective┐ is meant that the compound binds to or inhibits a kinase with greater aff...


US Patent US10053465 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM246897
PNG
(1-Methyl-N-({2-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl...)
Show SMILES Cn1nccc1C(=O)NCC1(Cc2ccccc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H24N6O/c1-33-23(10-12-32-33)26(34)29-16-27(14-19-5-2-3-6-20(19)15-27)21-8-4-7-18(13-21)24-22-9-11-28-25(22)31-17-30-24/h2-13,17H,14-16H2,1H3,(H,29,34)(H,28,30,31)
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Assay Description
In some embodiments, the PI3Kδ inhibitor is selective. By ┐selective┐ is meant that the compound binds to or inhibits a kinase with greater aff...


US Patent US10053465 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM246889
PNG
(7-(1-(9H-purin-6- ylamino)ethyl)-6-(3- fluoropheny...)
Show SMILES CC(Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cccc(F)c1
Show InChI InChI=1S/C20H16FN7OS/c1-10-7-30-20-27-15(11(2)26-18-16-17(23-8-22-16)24-9-25-18)14(19(29)28(10)20)12-4-3-5-13(21)6-12/h3-9,11H,1-2H3,(H2,22,23,24,25,26)
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Assay Description
In some embodiments, the PI3Kδ inhibitor is selective. By ┐selective┐ is meant that the compound binds to or inhibits a kinase with greater aff...


US Patent US10053465 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM246892
PNG
(4-[1-(4-amino-3-methyl- 1H-pyrazolo[3,4- d]pyrimid...)
Show SMILES COc1c(cc(Cl)c([N+]#[C-])c1C1CN(CCO)C1)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C21H24ClN7O2/c1-11-16-20(23)25-10-26-21(16)29(27-11)12(2)14-7-15(22)18(24-3)17(19(14)31-4)13-8-28(9-13)5-6-30/h7,10,12-13,30H,5-6,8-9H2,1-2,4H3,(H2,23,25,26)
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Assay Description
In some embodiments, the PI3Kδ inhibitor is selective. By ┐selective┐ is meant that the compound binds to or inhibits a kinase with greater aff...


US Patent US10053465 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50004539
PNG
(CHEMBL2216867 | US10065963, Compound 33 | US970833...)
Show SMILES CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1
Show InChI InChI=1S/C21H15ClFN7/c1-11(29-21-19-20(25-9-24-19)26-10-27-21)15-8-16(22)14-5-6-28-30-18(14)17(15)12-3-2-4-13(23)7-12/h2-11H,1H3,(H2,24,25,26,27,29)
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Assay Description
In some embodiments, the PI3Kδ inhibitor is selective. By ┐selective┐ is meant that the compound binds to or inhibits a kinase with greater aff...


US Patent US10053465 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50004547
PNG
(CHEMBL2216863 | US10065963, Compound 28 | US970833...)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cccc(F)c1
Show InChI InChI=1S/C20H16FN7OS/c1-10-7-30-20-27-15(11(2)26-18-16-17(23-8-22-16)24-9-25-18)14(19(29)28(10)20)12-4-3-5-13(21)6-12/h3-9,11H,1-2H3,(H2,22,23,24,25,26)/t11-/m0/s1
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Assay Description
In some embodiments, the PI3Kδ inhibitor is selective. By ┐selective┐ is meant that the compound binds to or inhibits a kinase with greater aff...


US Patent US10053465 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM246896
PNG
(4-chloro-3'-fluoro-3- methyl-6-[1-(9H-purin-6-...)
Show SMILES CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c(C)c(C#N)c1-c1cccc(F)c1
Show InChI InChI=1S/C21H16ClFN6/c1-11-16(8-24)18(13-4-3-5-14(23)6-13)15(7-17(11)22)12(2)29-21-19-20(26-9-25-19)27-10-28-21/h3-7,9-10,12H,1-2H3,(H2,25,26,27,28,29)
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Assay Description
In some embodiments, the PI3Kδ inhibitor is selective. By ┐selective┐ is meant that the compound binds to or inhibits a kinase with greater aff...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246852
PNG
(((2R,5S)-5-{2-[(1R)- 1-hydroxyethyl]-1H- imidazo[4...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1
Show InChI InChI=1S/C17H18N4O2S/c1-10(22)17-20-14-8-19-13-5-7-24-16(13)15(14)21(17)11-2-3-12(4-6-18)23-9-11/h5,7-8,10-12,22H,2-4,9H2,1H3/t10-,11+,12-/m1/s1
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens (Human))
BDBM246853
PNG
(4-[3-(cyanomethyl)- 3-(3',5'-dimethyl- 1H,...)
Show SMILES C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1c(C)n[nH]c1C)C(F)(F)F
Show InChI InChI=1S/C23H22F5N7O/c1-12-20(13(2)33-32-12)15-8-30-35(9-15)22(4-5-29)10-34(11-22)19-7-17(24)16(6-18(19)25)21(36)31-14(3)23(26,27)28/h6-9,14H,4,10-11H2,1-3H3,(H,31,36)(H,32,33)/t14-/m0/s1
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Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)

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


(Homo sapiens)
BDBM246883
PNG
(US10053465, 22 | US10065963, Compound 22 | US10125...)
Show SMILES O[C@H]1CCN(Cc2cc(O[C@H]3CC[C@H](CC3)N3CC(CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1
Show InChI InChI=1S/C31H34F3N9O2/c32-31(33,34)26-11-20(14-41-10-6-23(44)16-41)12-27(40-26)45-24-3-1-22(2-4-24)42-17-30(18-42,7-8-35)43-15-21(13-39-43)28-25-5-9-36-29(25)38-19-37-28/h5,9,11-13,15,19,22-24,44H,1-4,6-7,10,14,16-18H2,(H,36,37,38)/t22-,23-,24+/m0/s1
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Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10053465 (2018)

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


(Homo sapiens)
BDBM246884
PNG
(US10053465, 23 | US10065963, Compound 23 | US10125...)
Show SMILES C[C@@H](CO)NCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C30H34F3N9O2/c1-19(17-43)36-14-20-10-25(30(31,32)33)40-26(11-20)44-23-3-8-41(9-4-23)22-12-29(13-22,5-6-34)42-16-21(15-39-42)27-24-2-7-35-28(24)38-18-37-27/h2,7,10-11,15-16,18-19,22-23,36,43H,3-5,8-9,12-14,17H2,1H3,(H,35,37,38)/t19-,22-,29-/m0/s1
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Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10053465 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM246885
PNG
(US10053465, 24 | US10065963, Compound 25 | US10125...)
Show SMILES C[C@@H](O)CNCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C30H34F3N9O2/c1-19(43)14-35-15-20-10-25(30(31,32)33)40-26(11-20)44-23-3-8-41(9-4-23)22-12-29(13-22,5-6-34)42-17-21(16-39-42)27-24-2-7-36-28(24)38-18-37-27/h2,7,10-11,16-19,22-23,35,43H,3-5,8-9,12-15H2,1H3,(H,36,37,38)/t19-,22-,29-/m1/s1
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Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10053465 (2018)

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


(Homo sapiens)
BDBM246982
PNG
(4-{3-[2-(Aminomethyl)-2,3-dihydro-1H-inden-2-yl]ph...)
Show SMILES NCC1(Cc2ccccc2C1)c1cccc(c1)-c1nc(NC2CCCCC2)nc2[nH]ccc12
Show InChI InChI=1S/C28H31N5/c29-18-28(16-20-7-4-5-8-21(20)17-28)22-10-6-9-19(15-22)25-24-13-14-30-26(24)33-27(32-25)31-23-11-2-1-3-12-23/h4-10,13-15,23H,1-3,11-12,16-18,29H2,(H2,30,31,32,33)
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Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10053465 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM246985
PNG
(4-{2-[2-(Aminomethyl)-2,3-dihydro-1H-inden-2-yl]py...)
Show SMILES NCC1(Cc2ccccc2C1)c1cc(ccn1)-c1nc(Nc2cccc(CN3CCOCC3)c2)nc2[nH]ccc12
Show InChI InChI=1S/C32H33N7O/c33-21-32(18-24-5-1-2-6-25(24)19-32)28-17-23(8-10-34-28)29-27-9-11-35-30(27)38-31(37-29)36-26-7-3-4-22(16-26)20-39-12-14-40-15-13-39/h1-11,16-17H,12-15,18-21,33H2,(H2,35,36,37,38)
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Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10053465 (2018)

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


(Homo sapiens)
BDBM246990
PNG
(1-{2-[3-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1...)
Show SMILES NCC1(CCc2ccccc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C23H22N4/c24-14-23(10-8-16-4-1-2-5-18(16)13-23)19-7-3-6-17(12-19)21-20-9-11-25-22(20)27-15-26-21/h1-7,9,11-12,15H,8,10,13-14,24H2,(H,25,26,27)
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Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10053465 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM246919
PNG
(1-{5-(3-Fluoroazetidin-1-yl)-2-[3-(7H-pyrrolo[2,3-...)
Show SMILES NCC1(Cc2ccc(cc2C1)N1CC(F)C1)c1cccc(c1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C25H24FN5/c26-20-12-31(13-20)21-5-4-17-10-25(14-27,11-18(17)9-21)19-3-1-2-16(8-19)23-22-6-7-28-24(22)30-15-29-23/h1-9,15,20H,10-14,27H2,(H,28,29,30)
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Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10053465 (2018)

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


(Homo sapiens)
BDBM246852
PNG
(((2R,5S)-5-{2-[(1R)- 1-hydroxyethyl]-1H- imidazo[4...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1
Show InChI InChI=1S/C17H18N4O2S/c1-10(22)17-20-14-8-19-13-5-7-24-16(13)15(14)21(17)11-2-3-12(4-6-18)23-9-11/h5,7-8,10-12,22H,2-4,9H2,1H3/t10-,11+,12-/m1/s1
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Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10053465 (2018)

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


(Homo sapiens)
BDBM246866
PNG
(4-[(4-{3-cyano-2-[4- (7H-pyrrolo[2,3- d]pyrimidin-...)
Show SMILES Fc1cc(ccc1C(=O)N1CCN(CC(CC#N)n2cc(cn2)-c2ncnc3[nH]ccc23)CC1)[N+]#[C-]
Show InChI InChI=1S/C25H22FN9O/c1-28-18-2-3-20(22(26)12-18)25(36)34-10-8-33(9-11-34)15-19(4-6-27)35-14-17(13-32-35)23-21-5-7-29-24(21)31-16-30-23/h2-3,5,7,12-14,16,19H,4,8-11,15H2,(H,29,30,31)
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Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10053465 (2018)

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


(Homo sapiens)
BDBM246867
PNG
(4-[(4-{3-cyano-2-[3- (7H-pyrrolo[2,3- d]pyrimidin-...)
Show SMILES Fc1cc(ccc1C(=O)N1CCN(CC(CC#N)n2ccc(c2)-c2ncnc3[nH]ccc23)CC1)C#N
Show InChI InChI=1S/C26H23FN8O/c27-23-13-18(14-29)1-2-21(23)26(36)34-11-9-33(10-12-34)16-20(3-6-28)35-8-5-19(15-35)24-22-4-7-30-25(22)32-17-31-24/h1-2,4-5,7-8,13,15,17,20H,3,9-12,16H2,(H,30,31,32)
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Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10053465 (2018)

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


(Homo sapiens)
BDBM246868
PNG
(US10053465, 7 | US10065963, Compound 7 | US1012515...)
Show SMILES Fc1c(ccnc1C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C26H23F4N9O/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35)
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US Patent


Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10053465 (2018)

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


(Homo sapiens)
BDBM246872
PNG
(US10053465, 11 | US10065963, Compound 11 | US10125...)
Show SMILES OC1CN(Cc2cc(OC3CCN(CC3)[C@H]3C[C@@](CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1
Show InChI InChI=1S/C30H32F3N9O2/c31-30(32,33)25-9-19(14-40-16-22(43)17-40)10-26(39-25)44-23-2-7-41(8-3-23)21-11-29(12-21,4-5-34)42-15-20(13-38-42)27-24-1-6-35-28(24)37-18-36-27/h1,6,9-10,13,15,18,21-23,43H,2-4,7-8,11-12,14,16-17H2,(H,35,36,37)/t21-,29-
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Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10053465 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM246872
PNG
(US10053465, 11 | US10065963, Compound 11 | US10125...)
Show SMILES OC1CN(Cc2cc(OC3CCN(CC3)[C@H]3C[C@@](CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1
Show InChI InChI=1S/C30H32F3N9O2/c31-30(32,33)25-9-19(14-40-16-22(43)17-40)10-26(39-25)44-23-2-7-41(8-3-23)21-11-29(12-21,4-5-34)42-15-20(13-38-42)27-24-1-6-35-28(24)37-18-36-27/h1,6,9-10,13,15,18,21-23,43H,2-4,7-8,11-12,14,16-17H2,(H,35,36,37)/t21-,29-
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Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10053465 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM246873
PNG
(US10053465, 12 | US10065963, Compound 12 | US10125...)
Show SMILES OC[C@@H]1CCCN1Cc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F
Show InChI InChI=1S/C32H36F3N9O2/c33-32(34,35)27-12-21(17-43-9-1-2-23(43)19-45)13-28(41-27)46-25-4-10-42(11-5-25)24-14-31(15-24,6-7-36)44-18-22(16-40-44)29-26-3-8-37-30(26)39-20-38-29/h3,8,12-13,16,18,20,23-25,45H,1-2,4-6,9-11,14-15,17,19H2,(H,37,38,39)/t23-,24-,31-/m0/s1
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Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10053465 (2018)

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


(Homo sapiens)
BDBM246876
PNG
(5-{3-(cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...)
Show SMILES CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C22H22N10O/c1-14(2)30-21(33)17-8-26-18(9-25-17)31-11-22(12-31,4-5-23)32-10-15(7-29-32)19-16-3-6-24-20(16)28-13-27-19/h3,6-10,13-14H,4,11-12H2,1-2H3,(H,30,33)(H,24,27,28)
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Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10053465 (2018)

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


(Homo sapiens)
BDBM246978
PNG
(4-{3-[2-(Aminomethyl)-2,3-dihydro-1H-inden-2-yl]ph...)
Show SMILES CCNc1nc(-c2cccc(c2)C2(CN)Cc3ccccc3C2)c2cc[nH]c2n1
Show InChI InChI=1S/C24H25N5/c1-2-26-23-28-21(20-10-11-27-22(20)29-23)16-8-5-9-19(12-16)24(15-25)13-17-6-3-4-7-18(17)14-24/h3-12H,2,13-15,25H2,1H3,(H2,26,27,28,29)
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Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10053465 (2018)

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