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Patent code US10227340

Compile Data Set for Download or QSAR
Found 27 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))
BDBM203288
PNG
(US10227340, Example 23 | US9242975, 23)
Show SMILES CCOC(=O)c1nc(sc1C)-c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C
Show InChI InChI=1S/C22H23N5O2S2/c1-5-29-22(28)20-13(4)31-21(27-20)15-10-23-19(9-17(15)25-12(2)3)26-14-6-7-16-18(8-14)30-11-24-16/h6-12H,5H2,1-4H3,(H2,23,25,26)
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n/an/a 961n/an/an/an/an/an/a



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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203305
PNG
(US10227340, Example 161 | US9242975, 161)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(o1)C(=O)N1CCC(N)CC1
Show InChI InChI=1S/C23H26N8O2S/c1-13(2)27-18-10-20(28-15-3-4-17-19(9-15)34-12-26-17)25-11-16(18)21-29-30-22(33-21)23(32)31-7-5-14(24)6-8-31/h3-4,9-14H,5-8,24H2,1-2H3,(H2,25,27,28)
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n/an/a 23n/an/an/an/an/an/a



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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203300
PNG
(US10227340, Example 129 | US9242975, 129)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(o1)N1CCN(CCO)CC1
Show InChI InChI=1S/C23H28N8O2S/c1-15(2)26-19-12-21(27-16-3-4-18-20(11-16)34-14-25-18)24-13-17(19)22-28-29-23(33-22)31-7-5-30(6-8-31)9-10-32/h3-4,11-15,32H,5-10H2,1-2H3,(H2,24,26,27)
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n/an/a 25.4n/an/an/an/an/an/a



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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203301
PNG
(US10227340, Example 130 | US9242975, 130)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(o1)N1CCN(CCN2CCOCC2)CC1
Show InChI InChI=1S/C27H35N9O2S/c1-19(2)30-23-16-25(31-20-3-4-22-24(15-20)39-18-29-22)28-17-21(23)26-32-33-27(38-26)36-9-7-34(8-10-36)5-6-35-11-13-37-14-12-35/h3-4,15-19H,5-14H2,1-2H3,(H2,28,30,31)
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n/an/a 22.1n/an/an/an/an/an/a



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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203302
PNG
(US10227340, Example 143 | US9242975, 143)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(o1)-c1ccc(F)c(c1)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C27H28FN7O3S2/c1-15(2)31-21-12-24(32-17-7-9-20-22(11-17)39-14-30-20)29-13-18(21)26-34-33-25(38-26)16-6-8-19(28)23(10-16)40(36,37)35-27(3,4)5/h6-15,35H,1-5H3,(H2,29,31,32)
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n/an/a 676n/an/an/an/an/an/a



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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203296
PNG
(US10227340, Example 106 | US9242975, 106)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(NC(=O)OC(C)(C)C)c(C)o1
Show InChI InChI=1S/C24H28N6O3S/c1-13(2)27-18-10-20(28-15-7-8-17-19(9-15)34-12-26-17)25-11-16(18)22-29-21(14(3)32-22)30-23(31)33-24(4,5)6/h7-13H,1-6H3,(H,30,31)(H2,25,27,28)
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n/an/a 875n/an/an/an/an/an/a



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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203284
PNG
(US10227340, Example 7 | US9242975, 6 | US9242975, ...)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(s1)C(=O)N1CCC(O)C1
Show InChI InChI=1/C22H23N7O2S2/c1-12(2)25-17-8-19(26-13-3-4-16-18(7-13)32-11-24-16)23-9-15(17)20-27-28-21(33-20)22(31)29-6-5-14(30)10-29/h3-4,7-9,11-12,14,30H,5-6,10H2,1-2H3,(H2,23,25,26)
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n/an/a 2.80n/an/an/an/an/an/a



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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203284
PNG
(US10227340, Example 7 | US9242975, 6 | US9242975, ...)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(s1)C(=O)N1CCC(O)C1
Show InChI InChI=1/C22H23N7O2S2/c1-12(2)25-17-8-19(26-13-3-4-16-18(7-13)32-11-24-16)23-9-15(17)20-27-28-21(33-20)22(31)29-6-5-14(30)10-29/h3-4,7-9,11-12,14,30H,5-6,10H2,1-2H3,(H2,23,25,26)
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n/an/a 3.20n/an/an/an/an/an/a



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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203293
PNG
(US10227340, Example 59 | US9242975, 59)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)NCC1CCCO1
Show InChI InChI=1/C24H26N6O2S2/c1-14(2)28-19-9-22(29-15-5-6-18-21(8-15)34-13-27-18)25-11-17(19)24-30-20(12-33-24)23(31)26-10-16-4-3-7-32-16/h5-6,8-9,11-14,16H,3-4,7,10H2,1-2H3,(H,26,31)(H2,25,28,29)
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n/an/a 24n/an/an/an/an/an/a



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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203303
PNG
(US10227340, Example 148 | US9242975, 148)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(o1)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C24H21N7O2S/c1-13(2)28-19-10-21(29-16-6-7-18-20(9-16)34-12-27-18)26-11-17(19)24-31-30-23(33-24)15-5-3-4-14(8-15)22(25)32/h3-13H,1-2H3,(H2,25,32)(H2,26,28,29)
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n/an/a 564n/an/an/an/an/an/a



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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203295
PNG
(US10227340, Example 82 | US9242975, 82)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)NCCCN1CCCC1
Show InChI InChI=1S/C26H31N7OS2/c1-17(2)30-21-13-24(31-18-6-7-20-23(12-18)36-16-29-20)28-14-19(21)26-32-22(15-35-26)25(34)27-8-5-11-33-9-3-4-10-33/h6-7,12-17H,3-5,8-11H2,1-2H3,(H,27,34)(H2,28,30,31)
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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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203298
PNG
(US10227340, Example 115 | US9242975, 115)
Show SMILES CC(C)Nc1cc(Nc2ccc(cc2)C#N)ncc1-c1nnc(NC[C@@H](F)CO)o1
Show InChI InChI=1S/C20H22FN7O2/c1-12(2)25-17-7-18(26-15-5-3-13(8-22)4-6-15)23-10-16(17)19-27-28-20(30-19)24-9-14(21)11-29/h3-7,10,12,14,29H,9,11H2,1-2H3,(H,24,28)(H2,23,25,26)/t14-/m1/s1
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n/an/a 22.9n/an/an/an/an/an/a



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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203299
PNG
(US10227340, Example 128 | US9242975, 128)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(NC2CNC2)o1
Show InChI InChI=1S/C20H22N8OS/c1-11(2)24-16-6-18(25-12-3-4-15-17(5-12)30-10-23-15)22-9-14(16)19-27-28-20(29-19)26-13-7-21-8-13/h3-6,9-11,13,21H,7-8H2,1-2H3,(H,26,28)(H2,22,24,25)
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n/an/a 26.4n/an/an/an/an/an/a



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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203307
PNG
(US10227340, Example 177 | US9242975, 177)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C22H20N6S/c1-13(2)26-20-9-22(27-16-5-6-18-21(8-16)29-12-24-18)23-11-17(20)14-3-4-15-10-25-28-19(15)7-14/h3-13H,1-2H3,(H,25,28)(H2,23,26,27)
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n/an/a 813n/an/an/an/an/an/a



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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203287
PNG
(US10227340, Example 19 | US9242975, 19)
Show SMILES CNC(=O)c1ccc(Nc2cc(Nc3ccc4ncsc4c3)ncc2-c2nnc(s2)C(=O)N2CC[C@@H](O)C2)cc1
Show InChI InChI=1S/C27H24N8O3S2/c1-28-24(37)15-2-4-16(5-3-15)31-21-11-23(32-17-6-7-20-22(10-17)39-14-30-20)29-12-19(21)25-33-34-26(40-25)27(38)35-9-8-18(36)13-35/h2-7,10-12,14,18,36H,8-9,13H2,1H3,(H,28,37)(H2,29,31,32)/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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203289
PNG
(US10227340, Example 25 | US9242975, 25)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(C(=O)NCCCN2CCCCC2)c(C)s1
Show InChI InChI=1S/C28H35N7OS2/c1-18(2)32-23-15-25(33-20-8-9-22-24(14-20)37-17-31-22)30-16-21(23)28-34-26(19(3)38-28)27(36)29-10-7-13-35-11-5-4-6-12-35/h8-9,14-18H,4-7,10-13H2,1-3H3,(H,29,36)(H2,30,32,33)
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n/an/a 2.70n/an/an/an/an/an/a



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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203290
PNG
(US10227340, Example 31 | US9242975, 31)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)N1CCN(CC1)c1ccc(F)cc1F
Show InChI InChI=1S/C29H27F2N7OS2/c1-17(2)34-23-13-27(35-19-4-5-22-26(12-19)41-16-33-22)32-14-20(23)28-36-24(15-40-28)29(39)38-9-7-37(8-10-38)25-6-3-18(30)11-21(25)31/h3-6,11-17H,7-10H2,1-2H3,(H2,32,34,35)
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n/an/a 764n/an/an/an/an/an/a



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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203297
PNG
(US10227340, Example 108 | US9242975, 108)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(co1)C(N)=O
Show InChI InChI=1S/C19H18N6O2S/c1-10(2)23-14-6-17(24-11-3-4-13-16(5-11)28-9-22-13)21-7-12(14)19-25-15(8-27-19)18(20)26/h3-10H,1-2H3,(H2,20,26)(H2,21,23,24)
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n/an/a 2.70n/an/an/an/an/an/a



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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203306
PNG
(US10227340, Example 176 | US9242975, 176)
Show SMILES COc1cccc(n1)-c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C
Show InChI InChI=1S/C21H21N5OS/c1-13(2)24-18-10-20(25-14-7-8-17-19(9-14)28-12-23-17)22-11-15(18)16-5-4-6-21(26-16)27-3/h4-13H,1-3H3,(H2,22,24,25)
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n/an/a 616n/an/an/an/an/an/a



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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203283
PNG
(US10227340, Example 3 | US9242975, 3)
Show SMILES CC(C)Nc1cc(Nc2ccc3nsnc3c2)ncc1-c1nnc(s1)C(=O)N1CC[C@@H](O)C1
Show InChI InChI=1S/C21H22N8O2S2/c1-11(2)23-16-8-18(24-12-3-4-15-17(7-12)28-33-27-15)22-9-14(16)19-25-26-20(32-19)21(31)29-6-5-13(30)10-29/h3-4,7-9,11,13,30H,5-6,10H2,1-2H3,(H2,22,23,24)/t13-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203286
PNG
(US10227340, Example 8 | US9242975, 8)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(s1)C(=O)N1CCC(C1)NC(C)=O
Show InChI InChI=1/C24H26N8O2S2/c1-13(2)27-19-9-21(29-15-4-5-18-20(8-15)35-12-26-18)25-10-17(19)22-30-31-23(36-22)24(34)32-7-6-16(11-32)28-14(3)33/h4-5,8-10,12-13,16H,6-7,11H2,1-3H3,(H,28,33)(H2,25,27,29)
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n/an/a 3.30n/an/an/an/an/an/a



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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203304
PNG
(US10227340, Example 152 | US9242975, 152)
Show SMILES NC(=O)c1nnc(o1)-c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H](CO)Cc1ccccc1
Show InChI InChI=1S/C24H21N7O3S/c25-22(33)24-31-30-23(34-24)17-11-26-21(29-15-6-7-18-20(9-15)35-13-27-18)10-19(17)28-16(12-32)8-14-4-2-1-3-5-14/h1-7,9-11,13,16,32H,8,12H2,(H2,25,33)(H2,26,28,29)/t16-/m0/s1
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n/an/a 24.5n/an/an/an/an/an/a



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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203282
PNG
(US10227340, Example 1 | US9242975, 1)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc[nH]1
Show InChI InChI=1S/C17H17N7S/c1-10(2)22-14-6-16(18-7-12(14)17-19-8-21-24-17)23-11-3-4-13-15(5-11)25-9-20-13/h3-10H,1-2H3,(H2,18,22,23)(H,19,21,24)
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n/an/a 25.3n/an/an/an/an/an/a



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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM50040790
PNG
(CHEMBL3353197 | US10227340, Example 27 | US9242975...)
Show SMILES CNC(=O)c1nc(sc1C)-c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C
Show InChI InChI=1S/C21H22N6OS2/c1-11(2)25-16-8-18(26-13-5-6-15-17(7-13)29-10-24-15)23-9-14(16)21-27-19(12(3)30-21)20(28)22-4/h5-11H,1-4H3,(H,22,28)(H2,23,25,26)
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US Patent
n/an/a 1.80n/an/an/an/an/an/a



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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203291
PNG
(US10227340, Example 48 | US9242975, 48)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C32H32N8O2S2/c1-20(2)36-25-15-28(37-21-8-9-24-27(14-21)44-19-35-24)33-16-23(25)29-38-26(17-43-29)30(41)39-12-10-32(11-13-39)31(42)34-18-40(32)22-6-4-3-5-7-22/h3-9,14-17,19-20H,10-13,18H2,1-2H3,(H,34,42)(H2,33,36,37)
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n/an/a 576n/an/an/an/an/an/a



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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203294
PNG
(US10227340, Example 81 | US9242975, 81)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)NC[C@H](O)c1ccccc1
Show InChI InChI=1S/C27H26N6O2S2/c1-16(2)31-21-11-25(32-18-8-9-20-24(10-18)37-15-30-20)28-12-19(21)27-33-22(14-36-27)26(35)29-13-23(34)17-6-4-3-5-7-17/h3-12,14-16,23,34H,13H2,1-2H3,(H,29,35)(H2,28,31,32)/t23-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



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 US10227340 (2019)

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


(Homo sapiens (Human))
BDBM203292
PNG
(US10227340, Example 56 | US9242975, 56)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C26H30N6OS2/c1-16(2)30-21-11-24(31-18-8-9-20-23(10-18)35-15-29-20)27-13-19(21)26-32-22(14-34-26)25(33)28-12-17-6-4-3-5-7-17/h8-11,13-17H,3-7,12H2,1-2H3,(H,28,33)(H2,27,30,31)
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n/an/a 795n/an/an/an/an/an/a



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 US10227340 (2019)

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