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Patent code US10618903

Compile Data Set for Download or QSAR

Found 287 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
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438443
PNG
(US10618903, Example 71)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1cnn2cc(Cl)cnc12
Show InChI InChI=1S/C22H22ClF3N8O2/c1-22(2,36)18(24)8-29-21(35)15-6-27-16(14-7-31-34-9-12(23)4-28-20(14)34)3-17(15)32-13-5-30-33(10-13)11-19(25)26/h3-7,9-10,18-19,36H,8,11H2,1-2H3,(H,27,32)(H,29,35)/t18-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438683
PNG
(US10618903, Example 250)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CCC1)-c1cnn2cc(Cl)cnc12
Show InChI InChI=1S/C24H26ClFN8O2/c1-24(2,36)21(26)11-29-23(35)18-9-27-19(17-10-31-34-12-14(25)7-28-22(17)34)6-20(18)32-15-8-30-33(13-15)16-4-3-5-16/h6-10,12-13,16,21,36H,3-5,11H2,1-2H3,(H,27,32)(H,29,35)/t21-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438631
PNG
(US10618903, Example 198 | US10618903, Example 207)
Show SMILES CC(C)(O)[C@@H](F)CNC(=O)c1cnc(cc1NC1(C)CC1)-c1cnc2cc(Cl)cnn12
Show InChI InChI=1S/C21H24ClFN6O2/c1-20(2,31)17(23)11-26-19(30)13-9-24-15(7-14(13)28-21(3)4-5-21)16-10-25-18-6-12(22)8-27-29(16)18/h6-10,17,31H,4-5,11H2,1-3H3,(H,24,28)(H,26,30)/t17-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438679
PNG
(US10618903, Example 246)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CC1)-c1cnn2cc(Cl)cnc12
Show InChI InChI=1S/C23H24ClFN8O2/c1-23(2,35)20(25)10-28-22(34)17-8-26-18(16-9-30-33-11-13(24)6-27-21(16)33)5-19(17)31-14-7-29-32(12-14)15-3-4-15/h5-9,11-12,15,20,35H,3-4,10H2,1-2H3,(H,26,31)(H,28,34)/t20-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438695
PNG
(US10618903, Example 262)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1cnc2cc(Cl)cnn12
Show InChI InChI=1S/C22H22ClF3N8O2/c1-22(2,36)18(24)9-29-21(35)14-7-27-16(17-8-28-20-3-12(23)5-31-34(17)20)4-15(14)32-13-6-30-33(10-13)11-19(25)26/h3-8,10,18-19,36H,9,11H2,1-2H3,(H,27,32)(H,29,35)/t18-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438686
PNG
(US10618903, Example 253)
Show SMILES CC(C)(O)CCNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1cnn2cc(Cl)cnc12
Show InChI InChI=1S/C22H23ClF2N8O2/c1-22(2,35)3-4-26-21(34)16-8-27-17(15-9-30-33-10-13(23)6-28-20(15)33)5-18(16)31-14-7-29-32(11-14)12-19(24)25/h5-11,19,35H,3-4,12H2,1-2H3,(H,26,34)(H,27,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438455
PNG
(US10618903, Example 83 | US10618903, Example 84 | ...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-c1cnn2cc(Cl)cnc12
Show InChI InChI=1S/C22H25ClF2N6O2/c1-22(2,33)19(25)10-28-21(32)16-8-26-17(6-18(16)30-14-4-3-13(24)5-14)15-9-29-31-11-12(23)7-27-20(15)31/h6-9,11,13-14,19,33H,3-5,10H2,1-2H3,(H,26,30)(H,28,32)/t13?,14?,19-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438665
PNG
(US10618903, Example 232)
Show SMILES CCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(Cl)cnc23)cn1
Show InChI InChI=1S/C22H24ClFN8O2/c1-4-31-12-14(7-28-31)30-18-5-17(15-9-29-32-11-13(23)6-26-20(15)32)25-8-16(18)21(33)27-10-19(24)22(2,3)34/h5-9,11-12,19,34H,4,10H2,1-3H3,(H,25,30)(H,27,33)/t19-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438672
PNG
(US10618903, Example 239)
Show SMILES CC(F)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(Cl)cnc23)cn1
Show InChI InChI=1S/C23H24ClF3N8O2/c1-22(2,37)19(25)9-30-21(36)16-7-28-17(15-8-32-35-10-13(24)5-29-20(15)35)4-18(16)33-14-6-31-34(11-14)12-23(3,26)27/h4-8,10-11,19,37H,9,12H2,1-3H3,(H,28,33)(H,30,36)/t19-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438708
PNG
(US10618903, Example 275)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-c1cnc2cc(Cl)cnn12
Show InChI InChI=1S/C22H21ClF4N8O2/c1-21(2,37)18(24)9-30-20(36)14-7-28-16(17-8-29-19-3-12(23)5-32-35(17)19)4-15(14)33-13-6-31-34(10-13)11-22(25,26)27/h3-8,10,18,37H,9,11H2,1-2H3,(H,28,33)(H,30,36)/t18-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438420
PNG
(US10618903, Example 48)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1COC1)-c1cnn2cc(Cl)cnc12
Show InChI InChI=1S/C23H24ClFN8O3/c1-23(2,35)20(25)8-28-22(34)17-6-26-18(16-7-30-33-9-13(24)4-27-21(16)33)3-19(17)31-14-5-29-32(10-14)15-11-36-12-15/h3-7,9-10,15,20,35H,8,11-12H2,1-2H3,(H,26,31)(H,28,34)/t20-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438484
PNG
(US10618903, Example 112)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)C(N)=O)-c1cnn2cc(cnc12)C#N
Show InChI InChI=1S/C25H23FN8O3/c1-25(2,37)21(26)12-31-24(36)18-10-29-19(17-11-32-34-13-14(8-27)9-30-23(17)34)7-20(18)33-16-5-3-15(4-6-16)22(28)35/h3-7,9-11,13,21,37H,12H2,1-2H3,(H2,28,35)(H,29,33)(H,31,36)/t21-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438664
PNG
(US10618903, Example 231)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C(F)F)-c1cnn2cc(Cl)cnc12
Show InChI InChI=1S/C21H20ClF3N8O2/c1-21(2,35)17(23)8-28-19(34)14-6-26-15(13-7-30-32-9-11(22)4-27-18(13)32)3-16(14)31-12-5-29-33(10-12)20(24)25/h3-7,9-10,17,20,35H,8H2,1-2H3,(H,26,31)(H,28,34)/t17-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438711
PNG
(US10618903, Example 278)
Show SMILES CCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnc3cc(cnn23)C#N)cn1
Show InChI InChI=1S/C24H26FN9O2/c1-4-5-33-14-16(10-30-33)32-18-7-19(20-12-28-22-6-15(8-26)9-31-34(20)22)27-11-17(18)23(35)29-13-21(25)24(2,3)36/h6-7,9-12,14,21,36H,4-5,13H2,1-3H3,(H,27,32)(H,29,35)/t21-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438705
PNG
(US10618903, Example 272 | US10618903, Example 279)
Show SMILES CC(C)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnc3cc(cnn23)C#N)cn1
Show InChI InChI=1S/C25H27F2N9O2/c1-24(2,27)14-35-13-16(9-32-35)34-18-6-19(20-11-30-22-5-15(7-28)8-33-36(20)22)29-10-17(18)23(37)31-12-21(26)25(3,4)38/h5-6,8-11,13,21,38H,12,14H2,1-4H3,(H,29,34)(H,31,37)/t21-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438684
PNG
(US10618903, Example 251)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC2CC2)c1)-c1cnn2cc(Cl)cnc12
Show InChI InChI=1S/C24H26ClFN8O2/c1-24(2,36)21(26)10-29-23(35)18-8-27-19(17-9-31-34-12-15(25)6-28-22(17)34)5-20(18)32-16-7-30-33(13-16)11-14-3-4-14/h5-9,12-14,21,36H,3-4,10-11H2,1-2H3,(H,27,32)(H,29,35)/t21-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438394
PNG
(US10618903, Example 22)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-c1cnn2cc(Cl)cnc12
Show InChI InChI=1S/C20H22ClFN6O2/c1-20(2,30)17(22)9-25-19(29)14-7-23-15(5-16(14)27-12-3-4-12)13-8-26-28-10-11(21)6-24-18(13)28/h5-8,10,12,17,30H,3-4,9H2,1-2H3,(H,23,27)(H,25,29)/t17-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438635
PNG
(US10618903, Example 202)
Show SMILES CC[C@@H](C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnc2cc(Cl)cnn12
Show InChI InChI=1S/C21H26ClFN6O2/c1-5-12(2)28-15-7-16(17-10-25-19-6-13(22)8-27-29(17)19)24-9-14(15)20(30)26-11-18(23)21(3,4)31/h6-10,12,18,31H,5,11H2,1-4H3,(H,24,28)(H,26,30)/t12-,18-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438644
PNG
(US10618903, Example 211)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCC(F)F)-c1cnc2cc(cnn12)C#N
Show InChI InChI=1S/C21H22F3N7O2/c1-21(2,33)17(22)11-29-20(32)13-9-27-15(6-14(13)26-4-3-18(23)24)16-10-28-19-5-12(7-25)8-30-31(16)19/h5-6,8-10,17-18,33H,3-4,11H2,1-2H3,(H,26,27)(H,29,32)/t17-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438682
PNG
(US10618903, Example 249)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC2CC2)c1)-c1cnn2cc(cnc12)C#N
Show InChI InChI=1S/C25H26FN9O2/c1-25(2,37)22(26)11-30-24(36)19-9-28-20(18-10-32-35-13-16(6-27)7-29-23(18)35)5-21(19)33-17-8-31-34(14-17)12-15-3-4-15/h5,7-10,13-15,22,37H,3-4,11-12H2,1-2H3,(H,28,33)(H,30,36)/t22-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438697
PNG
(US10618903, Example 264)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1cnc2cc(Cl)cnn12
Show InChI InChI=1S/C26H29ClF2N8O2/c1-26(2,39)15-3-5-17(6-4-15)35-25(38)19-11-30-21(22-12-31-24-7-16(27)9-33-37(22)24)8-20(19)34-18-10-32-36(13-18)14-23(28)29/h7-13,15,17,23,39H,3-6,14H2,1-2H3,(H,30,34)(H,35,38)/t15-,17-
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438702
PNG
(US10618903, Example 269)
Show SMILES CC(F)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)F)-c2cnc3cc(cnn23)C#N)cn1
Show InChI InChI=1S/C24H23F4N9O/c1-23(2,26)20(25)11-32-22(38)16-9-30-18(19-10-31-21-4-14(6-29)7-34-37(19)21)5-17(16)35-15-8-33-36(12-15)13-24(3,27)28/h4-5,7-10,12,20H,11,13H2,1-3H3,(H,30,35)(H,32,38)/t20-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438717
PNG
(US10618903, Example 284)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CC1)-c1cnc2cc(cnn12)C#N
Show InChI InChI=1S/C24H24FN9O2/c1-24(2,36)21(25)12-29-23(35)17-10-27-19(20-11-28-22-5-14(7-26)8-31-34(20)22)6-18(17)32-15-9-30-33(13-15)16-3-4-16/h5-6,8-11,13,16,21,36H,3-4,12H2,1-2H3,(H,27,32)(H,29,35)/t21-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438719
PNG
(US10618903, Example 286)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1Nc1cnn(c1)C1CC1)-c1cnc2cc(cnn12)C#N
Show InChI InChI=1S/C28H31N9O2/c1-28(2,39)18-3-5-19(6-4-18)35-27(38)22-14-30-24(25-15-31-26-9-17(11-29)12-33-37(25)26)10-23(22)34-20-13-32-36(16-20)21-7-8-21/h9-10,12-16,18-19,21,39H,3-8H2,1-2H3,(H,30,34)(H,35,38)/t18-,19-
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438515
PNG
(US10618903, Example 143)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-c1cnc2cc(Cl)cnn12
Show InChI InChI=1S/C22H26ClFN6O3/c1-22(2,32)19(24)12-27-21(31)15-10-25-17(8-16(15)29-14-3-5-33-6-4-14)18-11-26-20-7-13(23)9-28-30(18)20/h7-11,14,19,32H,3-6,12H2,1-2H3,(H,25,29)(H,27,31)/t19-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438406
PNG
(US10618903, Example 34)
Show SMILES CNC(=O)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(Cl)cnc23)cc1
Show InChI InChI=1S/C25H25ClFN7O3/c1-25(2,37)21(27)12-31-24(36)18-10-29-19(17-11-32-34-13-15(26)9-30-22(17)34)8-20(18)33-16-6-4-14(5-7-16)23(35)28-3/h4-11,13,21,37H,12H2,1-3H3,(H,28,35)(H,29,33)(H,31,36)/t21-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438554
PNG
(US10618903, Example 183)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC1)-c1cnc2cc(cnn12)C#N
Show InChI InChI=1S/C22H24FN7O2/c1-22(2,32)19(23)12-27-21(31)15-10-25-17(7-16(15)29-14-4-3-5-14)18-11-26-20-6-13(8-24)9-28-30(18)20/h6-7,9-11,14,19,32H,3-5,12H2,1-2H3,(H,25,29)(H,27,31)/t19-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438637
PNG
(US10618903, Example 204)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)C(C)(C)O)-c1cnc2cc(cnn12)C#N
Show InChI InChI=1S/C27H34FN7O3/c1-26(2,37)17-5-7-18(8-6-17)34-20-10-21(22-14-31-24-9-16(11-29)12-33-35(22)24)30-13-19(20)25(36)32-15-23(28)27(3,4)38/h9-10,12-14,17-18,23,37-38H,5-8,15H2,1-4H3,(H,30,34)(H,32,36)/t17-,18-,23-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438661
PNG
(US10618903, Example 228)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccn(CC(F)F)c1)-c1cnn2cc(Cl)cnc12
Show InChI InChI=1S/C23H23ClF3N7O2/c1-23(2,36)19(25)9-30-22(35)16-7-28-17(15-8-31-34-10-13(24)6-29-21(15)34)5-18(16)32-14-3-4-33(11-14)12-20(26)27/h3-8,10-11,19-20,36H,9,12H2,1-2H3,(H,28,32)(H,30,35)/t19-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438673
PNG
(US10618903, Example 240)
Show SMILES Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(cnc23)C#N)cn1
Show InChI InChI=1S/C22H22FN9O2/c1-22(2,34)19(23)10-27-21(33)16-8-25-17(4-18(16)30-14-7-28-31(3)12-14)15-9-29-32-11-13(5-24)6-26-20(15)32/h4,6-9,11-12,19,34H,10H2,1-3H3,(H,25,30)(H,27,33)/t19-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438675
PNG
(US10618903, Example 242)
Show SMILES COCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(Cl)cnc23)cn1
Show InChI InChI=1S/C23H26ClFN8O3/c1-23(2,35)20(25)11-28-22(34)17-9-26-18(16-10-30-33-12-14(24)7-27-21(16)33)6-19(17)31-15-8-29-32(13-15)4-5-36-3/h6-10,12-13,20,35H,4-5,11H2,1-3H3,(H,26,31)(H,28,34)/t20-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438698
PNG
(US10618903, Example 265)
Show SMILES CC(F)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnc3cc(cnn23)C#N)cn1
Show InChI InChI=1S/C24H24F3N9O2/c1-23(2,38)20(25)11-31-22(37)16-9-29-18(19-10-30-21-4-14(6-28)7-33-36(19)21)5-17(16)34-15-8-32-35(12-15)13-24(3,26)27/h4-5,7-10,12,20,38H,11,13H2,1-3H3,(H,29,34)(H,31,37)/t20-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438710
PNG
(US10618903, Example 277)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CC(F)(F)C1)-c1cnc2cc(Cl)cnn12
Show InChI InChI=1S/C24H24ClF3N8O2/c1-23(2,38)20(26)11-31-22(37)16-9-29-18(19-10-30-21-3-13(25)7-33-36(19)21)4-17(16)34-14-8-32-35(12-14)15-5-24(27,28)6-15/h3-4,7-10,12,15,20,38H,5-6,11H2,1-2H3,(H,29,34)(H,31,37)/t20-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438459
PNG
(US10618903, Example 127 | US10618903, Example 87)
Show SMILES CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(cnc12)C#N
Show InChI InChI=1S/C21H24FN7O2/c1-12(2)28-17-5-16(14-9-27-29-11-13(6-23)7-25-19(14)29)24-8-15(17)20(30)26-10-18(22)21(3,4)31/h5,7-9,11-12,18,31H,10H2,1-4H3,(H,24,28)(H,26,30)/t18-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438468
PNG
(US10618903, Example 96)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC1)-c1cnn2cc(cnc12)C#N
Show InChI InChI=1S/C22H24FN7O2/c1-22(2,32)19(23)11-27-21(31)16-9-25-17(6-18(16)29-14-4-3-5-14)15-10-28-30-12-13(7-24)8-26-20(15)30/h6,8-10,12,14,19,32H,3-5,11H2,1-2H3,(H,25,29)(H,27,31)/t19-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438650
PNG
(US10618903, Example 217)
Show SMILES CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCCC1)-c1cnc2cc(cnn12)C#N
Show InChI InChI=1S/C23H27N7O2/c1-15(2)29-18-10-19(20-14-27-21-9-16(11-24)12-28-30(20)21)26-13-17(18)22(31)25-8-7-23(32)5-3-4-6-23/h9-10,12-15,32H,3-8H2,1-2H3,(H,25,31)(H,26,29)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438669
PNG
(US10618903, Example 236 | US10618903, Example 241)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-c1cnn2cc(cnc12)C#N
Show InChI InChI=1S/C23H21F4N9O2/c1-22(2,38)19(24)9-31-21(37)16-7-29-17(15-8-33-36-10-13(4-28)5-30-20(15)36)3-18(16)34-14-6-32-35(11-14)12-23(25,26)27/h3,5-8,10-11,19,38H,9,12H2,1-2H3,(H,29,34)(H,31,37)/t19-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438455
PNG
(US10618903, Example 83 | US10618903, Example 84 | ...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-c1cnn2cc(Cl)cnc12
Show InChI InChI=1S/C22H25ClF2N6O2/c1-22(2,33)19(25)10-28-21(32)16-8-26-17(6-18(16)30-14-4-3-13(24)5-14)15-9-29-31-11-12(23)7-27-20(15)31/h6-9,11,13-14,19,33H,3-5,10H2,1-2H3,(H,26,30)(H,28,32)/t13?,14?,19-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438379
PNG
((R)-6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-(2...)
Show SMILES CC(C)(CO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(Cl)cnc12
Show InChI InChI=1S/C21H26ClFN6O3/c1-20(2,11-30)28-16-5-15(13-8-27-29-10-12(22)6-25-18(13)29)24-7-14(16)19(31)26-9-17(23)21(3,4)32/h5-8,10,17,30,32H,9,11H2,1-4H3,(H,24,28)(H,26,31)/t17-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438407
PNG
(US10618903, Example 35)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(C#N)c1F)-c1cnn2cc(Cl)cnc12
Show InChI InChI=1S/C24H20ClF2N7O2/c1-24(2,36)20(26)11-31-23(35)16-9-29-18(15-10-32-34-12-14(25)8-30-22(15)34)6-19(16)33-17-5-3-4-13(7-28)21(17)27/h3-6,8-10,12,20,36H,11H2,1-2H3,(H,29,33)(H,31,35)/t20-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438422
PNG
(US10618903, Example 50)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](C1)C(C)(C)O)-c1cnn2cc(Cl)cnc12
Show InChI InChI=1S/C25H32ClFN6O3/c1-24(2,35)14-5-6-16(7-14)32-20-8-19(17-11-31-33-13-15(26)9-29-22(17)33)28-10-18(20)23(34)30-12-21(27)25(3,4)36/h8-11,13-14,16,21,35-36H,5-7,12H2,1-4H3,(H,28,32)(H,30,34)/t14-,16-,21+/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438440
PNG
(US10618903, Example 68)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCN(CC1)S(C)(=O)=O)-c1cnn2cc(Cl)cnc12
Show InChI InChI=1S/C23H29ClFN7O4S/c1-23(2,34)20(25)12-28-22(33)17-10-26-18(16-11-29-32-13-14(24)9-27-21(16)32)8-19(17)30-15-4-6-31(7-5-15)37(3,35)36/h8-11,13,15,20,34H,4-7,12H2,1-3H3,(H,26,30)(H,28,33)/t20-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438659
PNG
(US10618903, Example 226 | US10618903, Example 237)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-c1cnn2cc(Cl)cnc12
Show InChI InChI=1S/C22H21ClF4N8O2/c1-21(2,37)18(24)8-30-20(36)15-6-28-16(14-7-32-35-9-12(23)4-29-19(14)35)3-17(15)33-13-5-31-34(10-13)11-22(25,26)27/h3-7,9-10,18,37H,8,11H2,1-2H3,(H,28,33)(H,30,36)/t18-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438671
PNG
(US10618903, Example 238)
Show SMILES CC(F)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(cnc23)C#N)cn1
Show InChI InChI=1S/C24H24F3N9O2/c1-23(2,38)20(25)10-31-22(37)17-8-29-18(16-9-33-36-11-14(5-28)6-30-21(16)36)4-19(17)34-15-7-32-35(12-15)13-24(3,26)27/h4,6-9,11-12,20,38H,10,13H2,1-3H3,(H,29,34)(H,31,37)/t20-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438681
PNG
(US10618903, Example 248)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CC1)-c1cnn2cc(cnc12)C#N
Show InChI InChI=1S/C24H24FN9O2/c1-24(2,36)21(25)11-29-23(35)18-9-27-19(17-10-31-34-12-14(6-26)7-28-22(17)34)5-20(18)32-15-8-30-33(13-15)16-3-4-16/h5,7-10,12-13,16,21,36H,3-4,11H2,1-2H3,(H,27,32)(H,29,35)/t21-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438714
PNG
(US10618903, Example 281)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CCCF)c1)-c1cnc2cc(cnn12)C#N
Show InChI InChI=1S/C24H25F2N9O2/c1-24(2,37)21(26)13-30-23(36)17-11-28-19(20-12-29-22-6-15(8-27)9-32-35(20)22)7-18(17)33-16-10-31-34(14-16)5-3-4-25/h6-7,9-12,14,21,37H,3-5,13H2,1-2H3,(H,28,33)(H,30,36)/t21-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438716
PNG
(US10618903, Example 283)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CCCF)c1)-c1cnc2cc(Cl)cnn12
Show InChI InChI=1S/C23H25ClF2N8O2/c1-23(2,36)20(26)12-29-22(35)16-10-27-18(19-11-28-21-6-14(24)8-31-34(19)21)7-17(16)32-15-9-30-33(13-15)5-3-4-25/h6-11,13,20,36H,3-5,12H2,1-2H3,(H,27,32)(H,29,35)/t20-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438518
PNG
(US10618903, Example 146)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-c1cnc2cc(cnn12)C#N
Show InChI InChI=1S/C23H26FN7O3/c1-23(2,33)20(24)13-28-22(32)16-11-26-18(8-17(16)30-15-3-5-34-6-4-15)19-12-27-21-7-14(9-25)10-29-31(19)21/h7-8,10-12,15,20,33H,3-6,13H2,1-2H3,(H,26,30)(H,28,32)/t20-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438455
PNG
(US10618903, Example 83 | US10618903, Example 84 | ...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-c1cnn2cc(Cl)cnc12
Show InChI InChI=1S/C22H25ClF2N6O2/c1-22(2,33)19(25)10-28-21(32)16-8-26-17(6-18(16)30-14-4-3-13(24)5-14)15-9-29-31-11-12(23)7-27-20(15)31/h6-9,11,13-14,19,33H,3-5,10H2,1-2H3,(H,26,30)(H,28,32)/t13?,14?,19-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM438441
PNG
(US10618903, Example 69)
Show SMILES CC[C@H](C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1cnn2cc(Cl)cnc12
Show InChI InChI=1S/C21H26ClFN6O2/c1-5-12(2)28-17-6-16(14-9-27-29-11-13(22)7-25-19(14)29)24-8-15(17)20(30)26-10-18(23)21(3,4)31/h6-9,11-12,18,31H,5,10H2,1-4H3,(H,24,28)(H,26,30)/t12-,18+/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10618903 (2020)

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