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Patent code US10294229

Compile Data Set for Download or QSAR

Found 444 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))
BDBM388257
PNG
(US10294229, Example 407 | US10294229, Example 409)
Show SMILES CC(C)Nc1cc(ncc1-c1cc(no1)C1CCCN(C1)C(C)=O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C25H26N8O2/c1-15(2)30-22-9-24(33-25-19(12-29-33)7-17(10-26)11-28-25)27-13-20(22)23-8-21(31-35-23)18-5-4-6-32(14-18)16(3)34/h7-9,11-13,15,18H,4-6,14H2,1-3H3,(H,27,30)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388245
PNG
(US10294229, Example 395)
Show SMILES CCOC(=O)N[C@H]1CC[C@@H](CC1)n1cc(nn1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C26H30N10O2/c1-4-38-26(37)32-19-5-7-20(8-6-19)35-15-23(33-34-35)21-14-28-24(10-22(21)31-16(2)3)36-25-18(13-30-36)9-17(11-27)12-29-25/h9-10,12-16,19-20H,4-8H2,1-3H3,(H,28,31)(H,32,37)/t19-,20-
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388226
PNG
(US10294229, Example 375)
Show SMILES CC(C)(O)CCc1cn(nn1)-c1cnc(cc1N[C@@H]1CCC[C@@H]1F)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C24H26FN9O/c1-24(2,35)7-6-17-14-33(32-31-17)21-13-27-22(9-20(21)30-19-5-3-4-18(19)25)34-23-16(12-29-34)8-15(10-26)11-28-23/h8-9,11-14,18-19,35H,3-7H2,1-2H3,(H,27,30)/t18-,19+/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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM387972
PNG
(US10294229, Example 120)
Show SMILES CC(C)Nc1cc(ncc1-c1cn(CCc2ccncc2)nn1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C24H22N10/c1-16(2)30-21-10-23(34-24-19(13-29-34)9-18(11-25)12-28-24)27-14-20(21)22-15-33(32-31-22)8-5-17-3-6-26-7-4-17/h3-4,6-7,9-10,12-16H,5,8H2,1-2H3,(H,27,30)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM387980
PNG
(US10294229, Example 128)
Show SMILES CC(C)Nc1cc(ncc1-c1cn(CCC(C)(C)O)nn1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C22H25N9O/c1-14(2)27-18-8-20(31-21-16(11-26-31)7-15(9-23)10-25-21)24-12-17(18)19-13-30(29-28-19)6-5-22(3,4)32/h7-8,10-14,32H,5-6H2,1-4H3,(H,24,27)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388282
PNG
(US10294229, Example 432)
Show SMILES CC(C)Nc1cc(ncc1-c1cc(on1)C1CCCCN1S(C)(=O)=O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C24H26N8O3S/c1-15(2)29-19-10-23(32-24-17(13-28-32)8-16(11-25)12-27-24)26-14-18(19)20-9-22(35-30-20)21-6-4-5-7-31(21)36(3,33)34/h8-10,12-15,21H,4-7H2,1-3H3,(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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM387860
PNG
(US10294229, Example 19)
Show SMILES CC(C)Nc1cc(ncc1-c1cn(nn1)C1CCOCC1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C22H23N9O/c1-14(2)27-19-8-21(31-22-16(11-26-31)7-15(9-23)10-25-22)24-12-18(19)20-13-30(29-28-20)17-3-5-32-6-4-17/h7-8,10-14,17H,3-6H2,1-2H3,(H,24,27)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388276
PNG
(US10294229, Example 426)
Show SMILES CC(C)Nc1cc(ncc1-c1cc(CCC(C)(C)O)no1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C23H25N7O2/c1-14(2)28-19-9-21(30-22-16(12-27-30)7-15(10-24)11-26-22)25-13-18(19)20-8-17(29-32-20)5-6-23(3,4)31/h7-9,11-14,31H,5-6H2,1-4H3,(H,25,28)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388222
PNG
(US10294229, Example 371)
Show SMILES CC(C)Nc1cc(ncc1-n1cc(CCC(C)(C)O)nn1)-n1ncc2cc(C#N)c(N)nc12
Show InChI InChI=1S/C22H26N10O/c1-13(2)27-17-8-19(32-21-15(10-26-32)7-14(9-23)20(24)28-21)25-11-18(17)31-12-16(29-30-31)5-6-22(3,4)33/h7-8,10-13,33H,5-6H2,1-4H3,(H2,24,28)(H,25,27)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM387831
PNG
(US10294229, Example 2)
Show SMILES CCOC(=O)Cn1cc(nn1)-c1cnc(cc1NC(C)C)-n1ccc2cncnc12
Show InChI InChI=1S/C20H22N8O2/c1-4-30-19(29)11-27-10-17(25-26-27)15-9-22-18(7-16(15)24-13(2)3)28-6-5-14-8-21-12-23-20(14)28/h5-10,12-13H,4,11H2,1-3H3,(H,22,24)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388012
PNG
(US10294229, Example 160 | US10294229, Example 161)
Show SMILES CC(C)Nc1cc(ncc1-c1cn(nn1)C1CCCN(C1)C(C)=O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C24H26N10O/c1-15(2)29-21-8-23(34-24-18(11-28-34)7-17(9-25)10-27-24)26-12-20(21)22-14-33(31-30-22)19-5-4-6-32(13-19)16(3)35/h7-8,10-12,14-15,19H,4-6,13H2,1-3H3,(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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388170
PNG
(US10294229, Example 319)
Show SMILES CC(C)Nc1cc(ncc1-n1cc(CCc2ccccc2)nn1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C25H23N9/c1-17(2)30-22-11-24(34-25-20(14-29-34)10-19(12-26)13-28-25)27-15-23(22)33-16-21(31-32-33)9-8-18-6-4-3-5-7-18/h3-7,10-11,13-17H,8-9H2,1-2H3,(H,27,30)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388193
PNG
(US10294229, Example 342)
Show SMILES CC(C)Nc1cc(ncc1-n1cc(nn1)C1CCC(CC1)NC(=O)OC(C)(C)C)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C28H34N10O2/c1-17(2)33-22-11-25(38-26-20(14-32-38)10-18(12-29)13-31-26)30-15-24(22)37-16-23(35-36-37)19-6-8-21(9-7-19)34-27(39)40-28(3,4)5/h10-11,13-17,19,21H,6-9H2,1-5H3,(H,30,33)(H,34,39)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM387971
PNG
(US10294229, Example 119)
Show SMILES CC(C)Nc1cc(ncc1-c1cn(CCc2cccnc2)nn1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C24H22N10/c1-16(2)30-21-9-23(34-24-19(13-29-34)8-18(10-25)12-28-24)27-14-20(21)22-15-33(32-31-22)7-5-17-4-3-6-26-11-17/h3-4,6,8-9,11-16H,5,7H2,1-2H3,(H,27,30)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388229
PNG
(US10294229, Example 378)
Show SMILES CC(C)Nc1cc(ncc1-n1cc(CCC(C)(C)OC(=O)CN)nn1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C24H28N10O2/c1-15(2)30-19-8-21(34-23-17(12-29-34)7-16(9-25)11-28-23)27-13-20(19)33-14-18(31-32-33)5-6-24(3,4)36-22(35)10-26/h7-8,11-15H,5-6,10,26H2,1-4H3,(H,27,30)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388232
PNG
(US10294229, Example 381)
Show SMILES CC(C)(O)CCc1cn(nn1)-c1cnc(cc1NC(C)(C)CO)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C23H27N9O2/c1-22(2,14-33)28-18-8-20(32-21-16(11-27-32)7-15(9-24)10-26-21)25-12-19(18)31-13-17(29-30-31)5-6-23(3,4)34/h7-8,10-13,33-34H,5-6,14H2,1-4H3,(H,25,28)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388260
PNG
(US10294229, Example 410)
Show SMILES CC(C)Nc1cc(ncc1-c1cc(no1)C1CC[C@@H](CC1)NC(C)=O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C26H28N8O2/c1-15(2)31-23-10-25(34-26-19(13-30-34)8-17(11-27)12-29-26)28-14-21(23)24-9-22(33-36-24)18-4-6-20(7-5-18)32-16(3)35/h8-10,12-15,18,20H,4-7H2,1-3H3,(H,28,31)(H,32,35)/t18?,20-
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388273
PNG
(US10294229, Example 423)
Show SMILES CC(C)Nc1cc(ncc1-c1cc(no1)C1COC(C)(C)CN1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C24H26N8O2/c1-14(2)30-18-7-22(32-23-16(10-29-32)5-15(8-25)9-27-23)26-11-17(18)21-6-19(31-34-21)20-12-33-24(3,4)13-28-20/h5-7,9-11,14,20,28H,12-13H2,1-4H3,(H,26,30)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM387870
PNG
(US10294229, Example 25)
Show SMILES CC(C)Nc1cc(ncc1-c1cn(nn1)C1CCCCC1)-n1ncc2cc(C#N)c(N)nc12
Show InChI InChI=1S/C23H26N10/c1-14(2)28-19-9-21(33-23-16(11-27-33)8-15(10-24)22(25)29-23)26-12-18(19)20-13-32(31-30-20)17-6-4-3-5-7-17/h8-9,11-14,17H,3-7H2,1-2H3,(H2,25,29)(H,26,28)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM387950
PNG
(Ethyl 2-(4-(6-(5-cyano-1H-pyrazolo[3,4-b]pyridin-1...)
Show SMILES CC(C)Nc1cc(ncc1-c1cn(C[C@H]2CCCN2C(=O)OC(C)(C)C)nn1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C27H32N10O2/c1-17(2)32-22-10-24(37-25-19(13-31-37)9-18(11-28)12-30-25)29-14-21(22)23-16-35(34-33-23)15-20-7-6-8-36(20)26(38)39-27(3,4)5/h9-10,12-14,16-17,20H,6-8,15H2,1-5H3,(H,29,32)/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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388198
PNG
(1-(4-((3,3-difluorocyclopentyl)amino)-5-(4-(3-hydr...)
Show SMILES CC(C)(O)CCc1cn(nn1)-c1cnc(cc1NC1CCC(F)(F)C1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C24H25F2N9O/c1-23(2,36)5-3-18-14-34(33-32-18)20-13-28-21(8-19(20)31-17-4-6-24(25,26)9-17)35-22-16(12-30-35)7-15(10-27)11-29-22/h7-8,11-14,17,36H,3-6,9H2,1-2H3,(H,28,31)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388252
PNG
(US10294229, Example 402)
Show SMILES CC(C)Nc1cc(ncc1-c1cc(no1)C1CCN(CC1)C(C)=O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C25H26N8O2/c1-15(2)30-22-10-24(33-25-19(13-29-33)8-17(11-26)12-28-25)27-14-20(22)23-9-21(31-35-23)18-4-6-32(7-5-18)16(3)34/h8-10,12-15,18H,4-7H2,1-3H3,(H,27,30)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388012
PNG
(US10294229, Example 160 | US10294229, Example 161)
Show SMILES CC(C)Nc1cc(ncc1-c1cn(nn1)C1CCCN(C1)C(C)=O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C24H26N10O/c1-15(2)29-21-8-23(34-24-18(11-28-34)7-17(9-25)10-27-24)26-12-20(21)22-14-33(31-30-22)19-5-4-6-32(13-19)16(3)35/h7-8,10-12,14-15,19H,4-6,13H2,1-3H3,(H,26,29)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388047
PNG
(US10294229, Example 195)
Show SMILES CC(C)Nc1cc(ncc1-c1cn(nn1)C1CCNCC1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C22H24N10/c1-14(2)28-19-8-21(32-22-16(11-27-32)7-15(9-23)10-26-22)25-12-18(19)20-13-31(30-29-20)17-3-5-24-6-4-17/h7-8,10-14,17,24H,3-6H2,1-2H3,(H,25,28)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388002
PNG
(1-(4-(isopropylamino)-5-(1-(1-isopropylazetidin-3-...)
Show SMILES CC(C)Nc1cc(ncc1-c1cn(nn1)C1CN(C1)C(C)C)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C23H26N10/c1-14(2)28-20-6-22(33-23-17(9-27-33)5-16(7-24)8-26-23)25-10-19(20)21-13-32(30-29-21)18-11-31(12-18)15(3)4/h5-6,8-10,13-15,18H,11-12H2,1-4H3,(H,25,28)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM387899
PNG
(US10294229, Example 53)
Show SMILES CCCn1cc(nn1)-c1cnc(cc1N[C@@H](C)CO)-n1cnc2cc(cnc12)C#N
Show InChI InChI=1S/C20H21N9O/c1-3-4-28-10-18(26-27-28)15-9-22-19(6-16(15)25-13(2)11-30)29-12-24-17-5-14(7-21)8-23-20(17)29/h5-6,8-10,12-13,30H,3-4,11H2,1-2H3,(H,22,25)/t13-/m0/s1
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388225
PNG
(US10294229, Example 374)
Show SMILES CC(C)(O)CCc1cn(nn1)-c1cnc(cc1NC1CC[C@H](F)CC1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C25H28FN9O/c1-25(2,36)8-7-20-15-34(33-32-20)22-14-28-23(10-21(22)31-19-5-3-18(26)4-6-19)35-24-17(13-30-35)9-16(11-27)12-29-24/h9-10,12-15,18-19,36H,3-8H2,1-2H3,(H,28,31)/t18-,19?
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388235
PNG
(US10294229, Example 384)
Show SMILES CC(C)Nc1cc(ncc1-n1cc(CCC(C)(C)OC(=O)CN(C)C)nn1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C26H32N10O2/c1-17(2)31-21-10-23(36-25-19(13-30-36)9-18(11-27)12-29-25)28-14-22(21)35-15-20(32-33-35)7-8-26(3,4)38-24(37)16-34(5)6/h9-10,12-15,17H,7-8,16H2,1-6H3,(H,28,31)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM387898
PNG
(US10294229, Example 396 | US10294229, Example 52)
Show SMILES CCCn1cc(nn1)-c1cnc(cc1N[C@@H](C)CO)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C20H21N9O/c1-3-4-28-11-18(26-27-28)16-10-22-19(6-17(16)25-13(2)12-30)29-20-15(9-24-29)5-14(7-21)8-23-20/h5-6,8-11,13,30H,3-4,12H2,1-2H3,(H,22,25)/t13-/m0/s1
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388185
PNG
(1-(4-(isopropylamino)-5-(4-(piperidin-4-yl)-1H-1,2...)
Show SMILES CC(C)Nc1cc(ncc1-n1cc(nn1)C1CCNCC1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C22H24N10/c1-14(2)28-18-8-21(32-22-17(11-27-32)7-15(9-23)10-26-22)25-12-20(18)31-13-19(29-30-31)16-3-5-24-6-4-16/h7-8,10-14,16,24H,3-6H2,1-2H3,(H,25,28)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388005
PNG
(3-(5-(1-(1-(2,2-difluoroethyl)azetidin-3-yl)-1H-1,...)
Show SMILES CC(C)Nc1cc(ncc1-c1cn(nn1)C1CN(CC(F)F)C1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C22H22F2N10/c1-13(2)29-18-4-21(34-22-15(7-28-34)3-14(5-25)6-27-22)26-8-17(18)19-11-33(31-30-19)16-9-32(10-16)12-20(23)24/h3-4,6-8,11,13,16,20H,9-10,12H2,1-2H3,(H,26,29)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388196
PNG
((�)-1-(5-(4-(2-fluoro-3-hydroxy-3-methylbut...)
Show SMILES CC(C)Nc1cc(ncc1-n1cc(CC(F)C(C)(C)O)nn1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C22H24FN9O/c1-13(2)28-17-7-20(32-21-15(10-27-32)5-14(8-24)9-26-21)25-11-18(17)31-12-16(29-30-31)6-19(23)22(3,4)33/h5,7,9-13,19,33H,6H2,1-4H3,(H,25,28)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388233
PNG
(US10294229, Example 382)
Show SMILES CC(C)Nc1cc(ncc1-n1cc(CCC(C)(C)OC(=O)C2CC2)nn1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C26H29N9O2/c1-16(2)31-21-10-23(35-24-19(13-30-35)9-17(11-27)12-29-24)28-14-22(21)34-15-20(32-33-34)7-8-26(3,4)37-25(36)18-5-6-18/h9-10,12-16,18H,5-8H2,1-4H3,(H,28,31)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388234
PNG
(US10294229, Example 383)
Show SMILES CC(C)(O)CCc1cn(nn1)-c1cnc(cc1NC1(C)CC1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C23H25N9O/c1-22(2,33)5-4-17-14-31(30-29-17)19-13-25-20(9-18(19)28-23(3)6-7-23)32-21-16(12-27-32)8-15(10-24)11-26-21/h8-9,11-14,33H,4-7H2,1-3H3,(H,25,28)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388258
PNG
(US10294229, Example 408)
Show SMILES COC(=O)N1CCCC(C1)c1cc(on1)-c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C25H26N8O3/c1-15(2)30-21-9-23(33-24-18(12-29-33)7-16(10-26)11-28-24)27-13-19(21)22-8-20(31-36-22)17-5-4-6-32(14-17)25(34)35-3/h7-9,11-13,15,17H,4-6,14H2,1-3H3,(H,27,30)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388266
PNG
(US10294229, Example 416)
Show SMILES CC(C)Nc1cc(ncc1-c1cc(no1)C1CCCOC1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C23H23N7O2/c1-14(2)28-20-8-22(30-23-17(11-27-30)6-15(9-24)10-26-23)25-12-18(20)21-7-19(29-32-21)16-4-3-5-31-13-16/h6-8,10-12,14,16H,3-5,13H2,1-2H3,(H,25,28)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388285
PNG
(1-(5-(5-(3-hydroxy-3-methylbutyl)-4,5-dihydroisoxa...)
Show SMILES CC(C)Nc1cc(ncc1C1=NOC(CCC(C)(C)O)C1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C23H27N7O2/c1-14(2)28-19-9-21(30-22-16(12-27-30)7-15(10-24)11-26-22)25-13-18(19)20-8-17(32-29-20)5-6-23(3,4)31/h7,9,11-14,17,31H,5-6,8H2,1-4H3,(H,25,28)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388286
PNG
(Methyl ((3-(6-(5-cyano-1H-pyrazolo[3,4-b]pyridin-1...)
Show SMILES COC(=O)NCC1CC(=NO1)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C21H22N8O3/c1-12(2)27-17-6-19(29-20-14(9-26-29)4-13(7-22)8-24-20)23-11-16(17)18-5-15(32-28-18)10-25-21(30)31-3/h4,6,8-9,11-12,15H,5,10H2,1-3H3,(H,23,27)(H,25,30)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388067
PNG
(US10294229, Example 216)
Show SMILES CC(C)Nc1cc(ncc1-c1cn(nn1)C1CCCC[C@H]1O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C23H25N9O/c1-14(2)28-18-8-22(32-23-16(11-27-32)7-15(9-24)10-26-23)25-12-17(18)19-13-31(30-29-19)20-5-3-4-6-21(20)33/h7-8,10-14,20-21,33H,3-6H2,1-2H3,(H,25,28)/t20?,21-/m1/s1
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM387906
PNG
(US10294229, Example 60)
Show SMILES CCCn1cc(nn1)-c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C22H19F2N11/c1-2-3-33-12-19(31-32-33)17-10-26-21(35-22-15(8-29-35)4-14(6-25)7-27-22)5-18(17)30-16-9-28-34(11-16)13-20(23)24/h4-5,7-12,20H,2-3,13H2,1H3,(H,26,30)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388244
PNG
(US10294229, Example 394)
Show SMILES CC(C)Nc1cc(ncc1-c1cn(nn1)[C@H]1CC[C@@H](CC1)NCC(F)F)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C25H28F2N10/c1-15(2)33-21-8-24(37-25-17(11-32-37)7-16(9-28)10-31-25)30-12-20(21)22-14-36(35-34-22)19-5-3-18(4-6-19)29-13-23(26)27/h7-8,10-12,14-15,18-19,23,29H,3-6,13H2,1-2H3,(H,30,33)/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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388257
PNG
(US10294229, Example 407 | US10294229, Example 409)
Show SMILES CC(C)Nc1cc(ncc1-c1cc(no1)C1CCCN(C1)C(C)=O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C25H26N8O2/c1-15(2)30-22-9-24(33-25-19(12-29-33)7-17(10-26)11-28-25)27-13-20(22)23-8-21(31-35-23)18-5-4-6-32(14-18)16(3)34/h7-9,11-13,15,18H,4-6,14H2,1-3H3,(H,27,30)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388285
PNG
(1-(5-(5-(3-hydroxy-3-methylbutyl)-4,5-dihydroisoxa...)
Show SMILES CC(C)Nc1cc(ncc1C1=NOC(CCC(C)(C)O)C1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C23H27N7O2/c1-14(2)28-19-9-21(30-22-16(12-27-30)7-15(10-24)11-26-22)25-13-18(19)20-8-17(32-29-20)5-6-23(3,4)31/h7,9,11-14,17,31H,5-6,8H2,1-4H3,(H,25,28)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388290
PNG
(US10294229, Example 440 | US10294229, Example 441)
Show SMILES CCNc1cc(ncc1C1=NOC(CCC(C)(C)O)C1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C22H25N7O2/c1-4-24-18-9-20(29-21-15(12-27-29)7-14(10-23)11-26-21)25-13-17(18)19-8-16(31-28-19)5-6-22(2,3)30/h7,9,11-13,16,30H,4-6,8H2,1-3H3,(H,24,25)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388292
PNG
(US10294229, Example 442 | US10294229, Example 443)
Show SMILES CC(C)(O)CCC1CC(=NO1)c1cnc(cc1NCC(F)F)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C22H23F2N7O2/c1-22(2,32)4-3-15-6-18(30-33-15)16-11-27-20(7-17(16)26-12-19(23)24)31-21-14(10-29-31)5-13(8-25)9-28-21/h5,7,9-11,15,19,32H,3-4,6,12H2,1-2H3,(H,26,27)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388015
PNG
(1-(4-(isopropylamino)-5-(1-(2-morpholinoethyl)-1H-...)
Show SMILES CC(C)Nc1cc(ncc1-c1cn(CCN2CCOCC2)nn1)-n1ccc2cc(cnc12)C#N
Show InChI InChI=1S/C24H27N9O/c1-17(2)28-21-12-23(33-4-3-19-11-18(13-25)14-27-24(19)33)26-15-20(21)22-16-32(30-29-22)6-5-31-7-9-34-10-8-31/h3-4,11-12,14-17H,5-10H2,1-2H3,(H,26,28)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388022
PNG
(1-(4-(isopropylamino)-5-(1-(2-oxopropyl)-1H-1,2,3-...)
Show SMILES CC(C)Nc1cc(ncc1-c1cn(CC(C)=O)nn1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C20H19N9O/c1-12(2)25-17-5-19(29-20-15(8-24-29)4-14(6-21)7-23-20)22-9-16(17)18-11-28(27-26-18)10-13(3)30/h4-5,7-9,11-12H,10H2,1-3H3,(H,22,25)
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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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388061
PNG
(1-(5-(1-((trans)-3-fluoro-1-(methylsulfonyl)piperi...)
Show SMILES CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H]1CCN(C[C@@H]1F)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C23H25FN10O2S/c1-14(2)29-19-7-22(34-23-16(10-28-34)6-15(8-25)9-27-23)26-11-17(19)20-13-33(31-30-20)21-4-5-32(12-18(21)24)37(3,35)36/h6-7,9-11,13-14,18,21H,4-5,12H2,1-3H3,(H,26,29)/t18-,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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388062
PNG
(US10294229, Example 211)
Show SMILES CC(C)Nc1cc(ncc1-c1cn(nn1)[C@@H]1CCN(C[C@H]1F)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C23H25FN10O2S/c1-14(2)29-19-7-22(34-23-16(10-28-34)6-15(8-25)9-27-23)26-11-17(19)20-13-33(31-30-20)21-4-5-32(12-18(21)24)37(3,35)36/h6-7,9-11,13-14,18,21H,4-5,12H2,1-3H3,(H,26,29)/t18-,21-/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 US10294229 (2019)

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


(Homo sapiens (Human))
BDBM388009
PNG
(US10294229, Example 157 | US10294229, Example 158)
Show SMILES CC(C)Nc1cc(ncc1-c1cn(nn1)C1CCN(C1)C(C)=O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C23H24N10O/c1-14(2)28-20-7-22(33-23-17(10-27-33)6-16(8-24)9-26-23)25-11-19(20)21-13-32(30-29-21)18-4-5-31(12-18)15(3)34/h6-7,9-11,13-14,18H,4-5,12H2,1-3H3,(H,25,28)
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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 US10294229 (2019)

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