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Compile Data Set for Download or QSAR

Found 674 hits with Last Name = 'sarkunam' and Initial = 'k'   
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))
BDBM187842
PNG
(US9169252, 385)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r|
Show InChI InChI=1/C22H22FN9O4S/c1-22(2,34)18(23)11-27-21(33)16-10-25-19(32-20-14(8-29-32)4-13(6-24)7-26-20)5-17(16)30-15-9-28-31(12-15)37(3,35)36/h4-5,7-10,12,18,34H,11H2,1-3H3,(H,25,30)(H,27,33)/t18-/s2
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n/an/a 0.900n/an/an/an/a7.2n/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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187896
PNG
(US9169252, 437)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1/C22H23FN6O3/c1-22(2,31)18(23)10-27-21(30)16-9-25-19(6-17(16)28-15-11-32-12-15)29-4-3-14-5-13(7-24)8-26-20(14)29/h3-6,8-9,15,18,31H,10-12H2,1-2H3,(H,25,28)(H,27,30)/t18-/s2
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n/an/a 1n/an/an/an/a7.2n/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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187515
PNG
(US9169252, 109 | US9169252, 110)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1/C24H26F2N6O2/c1-24(2,34)20(26)13-30-23(33)18-12-28-21(9-19(18)31-17-4-3-16(25)8-17)32-6-5-15-7-14(10-27)11-29-22(15)32/h5-7,9,11-12,16-17,20,34H,3-4,8,13H2,1-2H3,(H,28,31)(H,30,33)/t16?,17?,20-/s2
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n/an/a 1n/an/an/an/a7.2n/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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187742
PNG
(US9169252, 293)
Show SMILES CC(C)(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12 |r|
Show InChI InChI=1/C22H27FN8O2/c1-21(2,3)30-15-7-17(26-10-14(15)20(32)27-11-16(23)22(4,5)33)31-19-13(9-28-31)6-12(8-24)18(25)29-19/h6-7,9-10,16,33H,11H2,1-5H3,(H2,25,29)(H,26,30)(H,27,32)/t16-/s2
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n/an/a 1n/an/an/an/a7.2n/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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187405
PNG
(US9169252, 6)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC1)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1/C23H25FN6O2/c1-23(2,32)19(24)13-28-22(31)17-12-26-20(9-18(17)29-16-4-3-5-16)30-7-6-15-8-14(10-25)11-27-21(15)30/h6-9,11-12,16,19,32H,3-5,13H2,1-2H3,(H,26,29)(H,28,31)/t19-/s2
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n/an/a 1n/an/an/an/a7.2n/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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187402
PNG
(US9169252, 3)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1/C24H27FN6O3/c1-24(2,33)20(25)14-29-23(32)18-13-27-21(10-19(18)30-17-4-7-34-8-5-17)31-6-3-16-9-15(11-26)12-28-22(16)31/h3,6,9-10,12-13,17,20,33H,4-5,7-8,14H2,1-2H3,(H,27,30)(H,29,32)/t20-/s2
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n/an/a 1n/an/an/an/a7.2n/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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187480
PNG
(US9169252, 80 | US9169252, 94)
Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-11.13,2.93,;-9.8,2.16,;-8.46,2.93,;-8.46,4.47,;-7.13,2.16,;-7.13,.62,;-5.8,-.15,;-4.46,.62,;-4.46,2.16,;-5.8,2.93,;-3.13,-.15,;-1.79,.62,;-1.79,2.16,;-.46,-.15,;-.46,-1.69,;.87,-2.46,;2.21,-1.69,;2.21,-.15,;.87,.62,;.87,2.16,;2.21,2.93,;2.21,4.47,;3.54,2.16,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)|
Show InChI InChI=1/C25H29N7O2/c1-15(2)30-21-11-22(32-9-8-18-10-16(12-26)13-29-23(18)32)28-14-20(21)25(34)31-19-6-4-17(5-7-19)24(33)27-3/h8-11,13-15,17,19H,4-7H2,1-3H3,(H,27,33)(H,28,30)(H,31,34)/t17-,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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187438
PNG
(US9169252, 39)
Show SMILES CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cncnc12 |r|
Show InChI InChI=1/C20H25FN6O2/c1-12(2)26-15-7-17(27-6-5-13-8-22-11-25-18(13)27)23-9-14(15)19(28)24-10-16(21)20(3,4)29/h5-9,11-12,16,29H,10H2,1-4H3,(H,23,26)(H,24,28)/t16-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187861
PNG
(US9169252, 404)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cc(n[nH]1)C1CC1)-n1ncc2cc(cnc12)C#N |r|
Show InChI InChI=1/C24H24FN9O2/c1-24(2,36)19(25)12-29-23(35)16-11-27-21(34-22-15(10-30-34)5-13(8-26)9-28-22)7-18(16)31-20-6-17(32-33-20)14-3-4-14/h5-7,9-11,14,19,36H,3-4,12H2,1-2H3,(H,29,35)(H2,27,31,32,33)/t19-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM188094
PNG
(US9169252, 625 | US9169252, 626 | US9169252, 627)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-n1ncc2cc(cnc12)C#N |r|
Show InChI InChI=1/C23H25F2N7O2/c1-23(2,34)19(25)12-29-22(33)17-11-27-20(7-18(17)31-16-4-3-15(24)6-16)32-21-14(10-30-32)5-13(8-26)9-28-21/h5,7,9-11,15-16,19,34H,3-4,6,12H2,1-2H3,(H,27,31)(H,29,33)/t15?,16?,19-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187416
PNG
(US9169252, 17)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1(C)CC1)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1/C23H25FN6O2/c1-22(2,32)18(24)13-28-21(31)16-12-26-19(9-17(16)29-23(3)5-6-23)30-7-4-15-8-14(10-25)11-27-20(15)30/h4,7-9,11-12,18,32H,5-6,13H2,1-3H3,(H,26,29)(H,28,31)/t18-/s2
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n/an/a 1.20n/an/an/an/a7.2n/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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187415
PNG
(US9169252, 16)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)C2)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1/C26H29FN6O3/c1-24(2,35)20(27)14-31-23(34)18-13-29-21(33-8-3-17-9-16(11-28)12-30-22(17)33)10-19(18)32-25-4-6-26(36,15-25)7-5-25/h3,8-10,12-13,20,35-36H,4-7,14-15H2,1-2H3,(H,29,32)(H,31,34)/t20-,25?,26?/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187931
PNG
(US9169252, 474)
Show SMILES COC(=O)N1CC[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1/C25H28FN7O4/c1-25(2,36)20(26)13-30-23(34)18-12-28-21(33-7-4-16-8-15(10-27)11-29-22(16)33)9-19(18)31-17-5-6-32(14-17)24(35)37-3/h4,7-9,11-12,17,20,36H,5-6,13-14H2,1-3H3,(H,28,31)(H,30,34)/t17-,20-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187829
PNG
(US9169252, 372)
Show SMILES CCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)cn1 |r|
Show InChI InChI=1/C24H25FN8O2/c1-4-32-14-17(11-30-32)31-19-8-21(33-6-5-16-7-15(9-26)10-28-22(16)33)27-12-18(19)23(34)29-13-20(25)24(2,3)35/h5-8,10-12,14,20,35H,4,13H2,1-3H3,(H,27,31)(H,29,34)/t20-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187974
PNG
(US9169252, 517)
Show SMILES CC(C)(F)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(O)c1)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1/C25H22F2N6O2/c1-25(2,27)21(26)14-31-24(35)19-13-29-22(10-20(19)32-17-4-3-5-18(34)9-17)33-7-6-16-8-15(11-28)12-30-23(16)33/h3-10,12-13,21,34H,14H2,1-2H3,(H,29,32)(H,31,35)/t21-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187943
PNG
(US9169252, 486)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)C(N)=O)-n1ccc2cc(cnc12)C#N |r,wU:17.17,4.4,wD:20.24,(-7.56,.67,;-8.33,-.66,;-9.1,.67,;-9.66,-1.43,;-7,-1.43,;-7,-2.97,;-5.66,-.66,;-4.33,-1.43,;-2.99,-.66,;-2.99,.88,;-1.66,-1.43,;-1.66,-2.97,;-.33,-3.74,;1.01,-2.97,;1.01,-1.43,;-.33,-.66,;-.33,.88,;1.01,1.65,;1.01,3.19,;2.34,3.96,;3.67,3.19,;3.67,1.65,;2.34,.88,;5.01,3.96,;6.34,3.19,;5.01,5.5,;2.34,-3.74,;2.58,-5.26,;4.1,-5.5,;4.8,-4.13,;6.29,-3.73,;6.69,-2.24,;5.6,-1.15,;4.11,-1.55,;3.71,-3.04,;8.18,-1.84,;9.66,-1.45,)|
Show InChI InChI=1/C26H30FN7O3/c1-26(2,37)21(27)14-32-25(36)19-13-30-22(34-8-7-17-9-15(11-28)12-31-24(17)34)10-20(19)33-18-5-3-16(4-6-18)23(29)35/h7-10,12-13,16,18,21,37H,3-6,14H2,1-2H3,(H2,29,35)(H,30,33)(H,32,36)/t16-,18-,21-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187799
PNG
(US9169252, 347)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N |r|
Show InChI InChI=1/C23H22F3N9O2/c1-23(2,37)18(24)10-30-22(36)16-9-28-20(35-21-14(7-32-35)3-13(5-27)6-29-21)4-17(16)33-15-8-31-34(11-15)12-19(25)26/h3-4,6-9,11,18-19,37H,10,12H2,1-2H3,(H,28,33)(H,30,36)/t18-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187816
PNG
(US9169252, 359)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1cnc2cc(Cl)cnc12 |r|
Show InChI InChI=1/C22H22ClF3N8O2/c1-22(2,36)17(24)8-29-21(35)14-7-27-19(34-11-30-16-3-12(23)5-28-20(16)34)4-15(14)32-13-6-31-33(9-13)10-18(25)26/h3-7,9,11,17-18,36H,8,10H2,1-2H3,(H,27,32)(H,29,35)/t17-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187824
PNG
(US9169252, 367)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CCCF)c1)-n1ncc2cc(Cl)cnc12 |r|
Show InChI InChI=1/C23H25ClF2N8O2/c1-23(2,36)19(26)12-29-22(35)17-11-27-20(34-21-14(8-31-34)6-15(24)9-28-21)7-18(17)32-16-10-30-33(13-16)5-3-4-25/h6-11,13,19,36H,3-5,12H2,1-2H3,(H,27,32)(H,29,35)/t19-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187515
PNG
(US9169252, 109 | US9169252, 110)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1/C24H26F2N6O2/c1-24(2,34)20(26)13-30-23(33)18-12-28-21(9-19(18)31-17-4-3-16(25)8-17)32-6-5-15-7-14(10-27)11-29-22(15)32/h5-7,9,11-12,16-17,20,34H,3-4,8,13H2,1-2H3,(H,28,31)(H,30,33)/t16?,17?,20-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187922
PNG
(US9169252, 465)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)S(C)(=O)=O)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1/C24H28FN7O4S/c1-24(2,34)20(25)13-29-23(33)18-12-27-21(32-7-4-16-8-15(10-26)11-28-22(16)32)9-19(18)30-17-5-6-31(14-17)37(3,35)36/h4,7-9,11-12,17,20,34H,5-6,13-14H2,1-3H3,(H,27,30)(H,29,33)/t17-,20-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187460
PNG
(US9169252, 61)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@](C)(O)CC1)-n1ccc2cc(cnc12)C#N |r,wU:4.4,17.17,20.22,wD:20.21,(-8.46,1.5,;-8.46,-.04,;-9.8,.73,;-9.8,-.81,;-7.13,-.81,;-7.13,-2.35,;-5.8,-.04,;-4.46,-.81,;-3.13,-.04,;-3.13,1.5,;-1.79,-.81,;-1.79,-2.35,;-.46,-3.12,;.87,-2.35,;.87,-.81,;-.46,-.04,;-.46,1.5,;.87,2.27,;.87,3.81,;2.21,4.58,;3.54,3.81,;4.31,5.14,;5.08,3.81,;3.54,2.27,;2.21,1.5,;2.21,-3.12,;2.21,-4.66,;3.67,-5.14,;4.58,-3.89,;6.11,-3.73,;6.73,-2.33,;5.83,-1.08,;4.3,-1.24,;3.67,-2.65,;8.27,-2.16,;9.8,-2,)|
Show InChI InChI=1/C26H31FN6O3/c1-25(2,35)21(27)15-31-24(34)19-14-29-22(11-20(19)32-18-4-7-26(3,36)8-5-18)33-9-6-17-10-16(12-28)13-30-23(17)33/h6,9-11,13-14,18,21,35-36H,4-5,7-8,15H2,1-3H3,(H,29,32)(H,31,34)/t18-,21-,26+/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187711
PNG
(US9169252, 262)
Show SMILES CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12 |r|
Show InChI InChI=1/C21H25FN8O2/c1-11(2)28-15-6-17(25-9-14(15)20(31)26-10-16(22)21(3,4)32)30-19-13(8-27-30)5-12(7-23)18(24)29-19/h5-6,8-9,11,16,32H,10H2,1-4H3,(H2,24,29)(H,25,28)(H,26,31)/t16-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187632
PNG
(US9169252, 186)
Show SMILES CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cnc(N)nc12 |r|
Show InChI InChI=1/C20H26FN7O2/c1-11(2)26-14-7-16(28-6-5-12-8-25-19(22)27-17(12)28)23-9-13(14)18(29)24-10-15(21)20(3,4)30/h5-9,11,15,30H,10H2,1-4H3,(H,23,26)(H,24,29)(H2,22,25,27)/t15-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187468
PNG
(US9169252, 69)
Show SMILES Cn1nnnc1-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)cc1 |r|
Show InChI InChI=1/C27H25FN10O2/c1-27(2,40)22(28)15-32-26(39)20-14-30-23(38-9-8-18-10-16(12-29)13-31-24(18)38)11-21(20)33-19-6-4-17(5-7-19)25-34-35-36-37(25)3/h4-11,13-14,22,40H,15H2,1-3H3,(H,30,33)(H,32,39)/t22-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187856
PNG
(US9169252, 399)
Show SMILES Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)cn1 |r|
Show InChI InChI=1/C23H23FN8O2/c1-23(2,34)19(24)12-28-22(33)17-11-26-20(7-18(17)30-16-10-29-31(3)13-16)32-5-4-15-6-14(8-25)9-27-21(15)32/h4-7,9-11,13,19,34H,12H2,1-3H3,(H,26,30)(H,28,33)/t19-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187584
PNG
(US9169252, 148)
Show SMILES CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r,wU:13.13,wD:16.20,(2.87,2.16,;1.54,2.93,;1.54,4.47,;.21,2.16,;.21,.62,;1.54,-.15,;1.54,-1.69,;.21,-2.46,;-1.13,-1.69,;-1.13,-.15,;-2.46,.62,;-2.46,2.16,;-3.8,-.15,;-5.13,.62,;-6.46,-.15,;-7.8,.62,;-7.8,2.16,;-6.46,2.93,;-5.13,2.16,;-9.13,2.93,;-9.13,4.47,;-10.46,2.16,;-10.46,3.7,;2.87,-2.46,;2.87,-4,;4.34,-4.47,;5.24,-3.23,;6.77,-3.07,;7.4,-1.66,;6.5,-.41,;4.96,-.57,;4.34,-1.98,;8.93,-1.5,;10.46,-1.34,)|
Show InChI InChI=1/C25H31N7O2/c1-15(2)30-21-10-22(32-23-17(13-29-32)9-16(11-26)12-28-23)27-14-20(21)24(33)31-19-7-5-18(6-8-19)25(3,4)34/h9-10,12-15,18-19,34H,5-8H2,1-4H3,(H,27,30)(H,31,33)/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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187403
PNG
(US9169252, 4)
Show SMILES CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1/C21H23FN6O2/c1-4-24-16-8-18(28-6-5-14-7-13(9-23)10-26-19(14)28)25-11-15(16)20(29)27-12-17(22)21(2,3)30/h5-8,10-11,17,30H,4,12H2,1-3H3,(H,24,25)(H,27,29)/t17-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187423
PNG
(US9169252, 24 | US9169252, 25 | US9169252, 26 | US...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(O)C1)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1/C24H27FN6O3/c1-24(2,34)20(25)13-29-23(33)18-12-27-21(9-19(18)30-16-3-4-17(32)8-16)31-6-5-15-7-14(10-26)11-28-22(15)31/h5-7,9,11-12,16-17,20,32,34H,3-4,8,13H2,1-2H3,(H,27,30)(H,29,33)/t16?,17?,20-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187447
PNG
(US9169252, 48 | US9169252, 49)
Show SMILES CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)O)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1/C21H23FN6O2/c1-12(2)27-18-7-19(24-10-16(18)21(30)26-11-17(22)13(3)29)28-5-4-15-6-14(8-23)9-25-20(15)28/h4-7,9-10,12-13,17,29H,11H2,1-3H3,(H,24,27)(H,26,30)/t13?,17-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187964
PNG
(US9169252, 507)
Show SMILES C[C@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1/C22H24F2N6O2/c1-13(23)9-26-17-7-19(30-5-4-15-6-14(8-25)10-28-20(15)30)27-11-16(17)21(31)29-12-18(24)22(2,3)32/h4-7,10-11,13,18,32H,9,12H2,1-3H3,(H,26,27)(H,29,31)/t13-,18+/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187840
PNG
(US9169252, 383)
Show SMILES CCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)cn1 |r|
Show InChI InChI=1/C25H27FN8O2/c1-4-6-33-15-18(12-31-33)32-20-9-22(34-7-5-17-8-16(10-27)11-29-23(17)34)28-13-19(20)24(35)30-14-21(26)25(2,3)36/h5,7-9,11-13,15,21,36H,4,6,14H2,1-3H3,(H,28,32)(H,30,35)/t21-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187496
PNG
(US9169252, 96)
Show SMILES CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r,wU:13.13,wD:16.20,(2.82,2.16,;1.49,2.93,;1.49,4.47,;.15,2.16,;.15,.62,;1.49,-.15,;1.49,-1.69,;.15,-2.46,;-1.18,-1.69,;-1.18,-.15,;-2.51,.62,;-2.51,2.16,;-3.85,-.15,;-5.18,.62,;-6.51,-.15,;-7.85,.62,;-7.85,2.16,;-6.51,2.93,;-5.18,2.16,;-9.18,2.93,;-9.18,4.47,;-10.51,2.16,;-10.51,3.7,;2.82,-2.46,;2.82,-4,;4.29,-4.47,;5.19,-3.23,;6.72,-3.07,;7.35,-1.66,;6.44,-.41,;4.91,-.57,;4.29,-1.98,;8.88,-1.5,;10.41,-1.34,)|
Show InChI InChI=1/C26H32N6O2/c1-16(2)30-22-12-23(32-10-9-18-11-17(13-27)14-29-24(18)32)28-15-21(22)25(33)31-20-7-5-19(6-8-20)26(3,4)34/h9-12,14-16,19-20,34H,5-8H2,1-4H3,(H,28,30)(H,31,33)/t19-,20-
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n/an/a 1.40n/an/an/an/a7.2n/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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187893
PNG
(US9169252, 434 | US9169252, 442)
Show SMILES COC(C)(C)[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1/C23H27FN6O2/c1-14(2)29-18-9-20(30-7-6-16-8-15(10-25)11-27-21(16)30)26-12-17(18)22(31)28-13-19(24)23(3,4)32-5/h6-9,11-12,14,19H,13H2,1-5H3,(H,26,29)(H,28,31)/t19-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187408
PNG
(US9169252, 9)
Show SMILES C[C@@H](CO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1/C22H25FN6O3/c1-13(12-30)28-17-7-19(29-5-4-15-6-14(8-24)9-26-20(15)29)25-10-16(17)21(31)27-11-18(23)22(2,3)32/h4-7,9-10,13,18,30,32H,11-12H2,1-3H3,(H,25,28)(H,27,31)/t13-,18+/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187423
PNG
(US9169252, 24 | US9169252, 25 | US9169252, 26 | US...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(O)C1)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1/C24H27FN6O3/c1-24(2,34)20(25)13-29-23(33)18-12-27-21(9-19(18)30-16-3-4-17(32)8-16)31-6-5-15-7-14(10-26)11-28-22(15)31/h5-7,9,11-12,16-17,20,32,34H,3-4,8,13H2,1-2H3,(H,27,30)(H,29,33)/t16?,17?,20-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187456
PNG
(US9169252, 57)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(NS(C)(=O)=O)c1)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1/C26H26FN7O4S/c1-26(2,36)22(27)15-31-25(35)20-14-29-23(34-8-7-17-9-16(12-28)13-30-24(17)34)11-21(20)32-18-5-4-6-19(10-18)33-39(3,37)38/h4-11,13-14,22,33,36H,15H2,1-3H3,(H,29,32)(H,31,35)/t22-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187464
PNG
(US9169252, 65)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1(F)CCC1)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1/C24H26F2N6O2/c1-23(2,34)19(25)13-30-22(33)17-12-28-20(9-18(17)31-14-24(26)5-3-6-24)32-7-4-16-8-15(10-27)11-29-21(16)32/h4,7-9,11-12,19,34H,3,5-6,13-14H2,1-2H3,(H,28,31)(H,30,33)/t19-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187470
PNG
(US9169252, 71)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(CO)c1)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1/C26H25FN6O3/c1-26(2,36)22(27)14-31-25(35)20-13-29-23(10-21(20)32-19-5-3-4-16(9-19)15-34)33-7-6-18-8-17(11-28)12-30-24(18)33/h3-10,12-13,22,34,36H,14-15H2,1-2H3,(H,29,32)(H,31,35)/t22-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187992
PNG
(US9169252, 532 | US9169252, 534)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)c1ncc(F)cn1)-n1ncc2cc(cnc12)C#N |r|
Show InChI InChI=1/C26H26F2N10O2/c1-26(2,40)21(28)13-32-24(39)19-12-30-22(38-23-16(9-35-38)5-15(7-29)8-31-23)6-20(19)36-18-3-4-37(14-18)25-33-10-17(27)11-34-25/h5-6,8-12,18,21,40H,3-4,13-14H2,1-2H3,(H,30,36)(H,32,39)/t18-,21-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM188106
PNG
(US9169252, 637)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CC(C1)C2)-n1ncc2cc(C#N)c(N)nc12 |r|
Show InChI InChI=1/C23H25FN8O2/c1-22(2,34)17(24)11-28-21(33)15-10-27-18(4-16(15)31-23-5-12(6-23)7-23)32-20-14(9-29-32)3-13(8-25)19(26)30-20/h3-4,9-10,12,17,34H,5-7,11H2,1-2H3,(H2,26,30)(H,27,31)(H,28,33)/t12?,17-,23?/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187888
PNG
(US9169252, 429)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CC1)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-10.33,2.04,;-9,2.81,;-9,4.35,;-10.33,3.58,;-7.66,2.04,;-7.66,.5,;-6.33,-.27,;-4.99,.5,;-4.99,2.04,;-6.33,2.81,;-3.66,-.27,;-2.33,.5,;-2.33,2.04,;-.99,-.27,;-.99,-1.81,;.34,-2.58,;1.67,-1.81,;1.67,-.27,;.34,.5,;.34,2.04,;1.67,2.81,;3.21,2.81,;2.44,4.14,;3.01,-2.58,;3.25,-4.1,;4.77,-4.35,;5.47,-2.97,;6.96,-2.58,;7.35,-1.09,;6.27,0,;4.78,-.4,;4.38,-1.88,;8.84,-.69,;10.33,-.29,)|
Show InChI InChI=1/C26H30N6O2/c1-26(2,34)18-3-5-20(6-4-18)31-25(33)21-15-28-23(12-22(21)30-19-7-8-19)32-10-9-17-11-16(13-27)14-29-24(17)32/h9-12,14-15,18-20,34H,3-8H2,1-2H3,(H,28,30)(H,31,33)/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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187906
PNG
(US9169252, 449)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)c1ncc(F)cn1)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1/C27H27F2N9O2/c1-27(2,40)22(29)14-33-25(39)20-13-31-23(38-6-3-17-7-16(9-30)10-32-24(17)38)8-21(20)36-19-4-5-37(15-19)26-34-11-18(28)12-35-26/h3,6-8,10-13,19,22,40H,4-5,14-15H2,1-2H3,(H,31,36)(H,33,39)/t19-,22-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187963
PNG
(US9169252, 506)
Show SMILES C[C@@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1/C22H24F2N6O2/c1-13(23)9-26-17-7-19(30-5-4-15-6-14(8-25)10-28-20(15)30)27-11-16(17)21(31)29-12-18(24)22(2,3)32/h4-7,10-11,13,18,32H,9,12H2,1-3H3,(H,26,27)(H,29,31)/t13-,18-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187817
PNG
(US9169252, 360)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-n1cnc2cc(Cl)cnc12 |r|
Show InChI InChI=1/C22H21ClF4N8O2/c1-21(2,37)17(24)8-30-20(36)14-7-28-18(35-11-31-16-3-12(23)5-29-19(16)35)4-15(14)33-13-6-32-34(9-13)10-22(25,26)27/h3-7,9,11,17,37H,8,10H2,1-2H3,(H,28,33)(H,30,36)/t17-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187843
PNG
(US9169252, 386)
Show SMILES CCNC(=O)n1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)cn1 |r|
Show InChI InChI=1/C24H25FN10O3/c1-4-27-23(37)34-13-16(10-31-34)33-18-6-20(35-21-15(9-32-35)5-14(7-26)8-29-21)28-11-17(18)22(36)30-12-19(25)24(2,3)38/h5-6,8-11,13,19,38H,4,12H2,1-3H3,(H,27,37)(H,28,33)(H,30,36)/t19-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187867
PNG
(US9169252, 410)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)-c1ncccn1)-n1ncc2cc(cnc12)C#N |r|
Show InChI InChI=1/C25H22FN11O2/c1-25(2,39)20(26)13-32-23(38)18-12-30-21(37-22-16(10-34-37)6-15(8-27)9-31-22)7-19(18)35-17-11-33-36(14-17)24-28-4-3-5-29-24/h3-7,9-12,14,20,39H,13H2,1-2H3,(H,30,35)(H,32,38)/t20-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187475
PNG
(US9169252, 76)
Show SMILES CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(Cl)cnc12 |r|
Show InChI InChI=1/C21H25ClFN5O2/c1-12(2)27-16-8-18(28-6-5-13-7-14(22)9-25-19(13)28)24-10-15(16)20(29)26-11-17(23)21(3,4)30/h5-10,12,17,30H,11H2,1-4H3,(H,24,27)(H,26,29)/t17-/s2
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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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM60810
PNG
(US9169252, 443)
Show SMILES COC(C)(C)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCC(CO)C1)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1/C27H33FN6O3/c1-27(2,37-3)23(28)15-32-26(36)21-14-30-24(11-22(21)33-20-6-4-5-17(10-20)16-35)34-8-7-19-9-18(12-29)13-31-25(19)34/h7-9,11,13-14,17,20,23,35H,4-6,10,15-16H2,1-3H3,(H,30,33)(H,32,36)/t17?,20?,23-/s2
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/a7.225



Bristol-Myers Squibb Company

US Patent


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


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187401
PNG
(US9169252, 2)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1/C22H23FN6O2/c1-22(2,31)18(23)12-27-21(30)16-11-25-19(8-17(16)28-15-3-4-15)29-6-5-14-7-13(9-24)10-26-20(14)29/h5-8,10-11,15,18,31H,3-4,12H2,1-2H3,(H,25,28)(H,27,30)/t18-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/a7.2n/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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair
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