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Compile Data Set for Download or QSAR

Found 3127 hits Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4'   
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))
BDBM188110
PNG
(US9169252, 641)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C28H35FN8O3/c1-16(2)35-26(38)18-5-7-20(8-6-18)36-22-10-24(37-25-19(13-34-37)9-17(11-30)12-32-25)31-14-21(22)27(39)33-15-23(29)28(3,4)40/h9-10,12-14,16,18,20,23,40H,5-8,15H2,1-4H3,(H,31,36)(H,33,39)(H,35,38)/t18-,20-,23-/m1/s1
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n/an/a 6.40n/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))
BDBM188111
PNG
(US9169252, 642 | US9169252, 643)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1C[C@H]1CO)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C22H24FN7O3/c1-22(2,33)18(23)10-27-21(32)15-9-25-19(5-17(15)29-16-4-14(16)11-31)30-20-13(8-28-30)3-12(6-24)7-26-20/h3,5,7-9,14,16,18,31,33H,4,10-11H2,1-2H3,(H,25,29)(H,27,32)/t14-,16+,18+/m0/s1
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n/an/a 4.80n/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))
BDBM188111
PNG
(US9169252, 642 | US9169252, 643)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1C[C@H]1CO)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C22H24FN7O3/c1-22(2,33)18(23)10-27-21(32)15-9-25-19(5-17(15)29-16-4-14(16)11-31)30-20-13(8-28-30)3-12(6-24)7-26-20/h3,5,7-9,14,16,18,31,33H,4,10-11H2,1-2H3,(H,25,29)(H,27,32)/t14-,16+,18+/m0/s1
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n/an/a 5.40n/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))
BDBM188113
PNG
(US9169252, 644)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC(F)(F)C1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C22H22F3N7O2/c1-21(2,34)17(23)11-29-20(33)15-10-27-18(4-16(15)31-14-5-22(24,25)6-14)32-19-13(9-30-32)3-12(7-26)8-28-19/h3-4,8-10,14,17,34H,5-6,11H2,1-2H3,(H,27,31)(H,29,33)/t17-/m1/s1
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n/an/a 4.30n/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))
BDBM188114
PNG
(US9169252, 645 | US9169252, 646)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1C[C@H]1CO)-n1ncc2cc(Cl)cnc12
Show InChI InChI=1S/C21H24ClFN6O3/c1-21(2,32)17(23)9-26-20(31)14-8-24-18(5-16(14)28-15-4-12(15)10-30)29-19-11(6-27-29)3-13(22)7-25-19/h3,5-8,12,15,17,30,32H,4,9-10H2,1-2H3,(H,24,28)(H,26,31)/t12-,15+,17+/m0/s1
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n/an/a 6.90n/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))
BDBM188114
PNG
(US9169252, 645 | US9169252, 646)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1C[C@H]1CO)-n1ncc2cc(Cl)cnc12
Show InChI InChI=1S/C21H24ClFN6O3/c1-21(2,32)17(23)9-26-20(31)14-8-24-18(5-16(14)28-15-4-12(15)10-30)29-19-11(6-27-29)3-13(22)7-25-19/h3,5-8,12,15,17,30,32H,4,9-10H2,1-2H3,(H,24,28)(H,26,31)/t12-,15+,17+/m0/s1
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n/an/a 10.5n/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))
BDBM188043
PNG
(US9169252, 577)
Show SMILES CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12
Show InChI InChI=1S/C20H23FN8O2/c1-4-24-14-6-16(25-9-13(14)19(30)26-10-15(21)20(2,3)31)29-18-12(8-27-29)5-11(7-22)17(23)28-18/h5-6,8-9,15,31H,4,10H2,1-3H3,(H2,23,28)(H,24,25)(H,26,30)/t15-/m1/s1
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n/an/a 3.20n/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))
BDBM188044
PNG
(US9169252, 578)
Show SMILES CCCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12
Show InChI InChI=1S/C21H25FN8O2/c1-4-5-25-15-7-17(26-10-14(15)20(31)27-11-16(22)21(2,3)32)30-19-13(9-28-30)6-12(8-23)18(24)29-19/h6-7,9-10,16,32H,4-5,11H2,1-3H3,(H2,24,29)(H,25,26)(H,27,31)/t16-/m1/s1
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n/an/a 2.60n/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
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM188045
PNG
(US9169252, 579)
Show SMILES CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cnc(N)nc12
Show InChI InChI=1S/C19H25FN8O2/c1-10(2)26-13-5-15(28-16-11(7-25-28)6-24-18(21)27-16)22-8-12(13)17(29)23-9-14(20)19(3,4)30/h5-8,10,14,30H,9H2,1-4H3,(H,22,26)(H,23,29)(H2,21,24,27)/t14-/m1/s1
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n/an/a 3.90n/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))
BDBM188046
PNG
(US9169252, 580)
Show SMILES CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cnc(N)nc12
Show InChI InChI=1S/C18H23FN8O2/c1-4-21-12-5-14(27-15-10(7-25-27)6-24-17(20)26-15)22-8-11(12)16(28)23-9-13(19)18(2,3)29/h5-8,13,29H,4,9H2,1-3H3,(H,21,22)(H,23,28)(H2,20,24,26)/t13-/m1/s1
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n/an/a 10.7n/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))
BDBM188047
PNG
(US9169252, 581)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1(F)CCC1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C23H25F2N7O2/c1-22(2,34)18(24)12-29-21(33)16-11-27-19(7-17(16)30-13-23(25)4-3-5-23)32-20-15(10-31-32)6-14(8-26)9-28-20/h6-7,9-11,18,34H,3-5,12-13H2,1-2H3,(H,27,30)(H,29,33)/t18-/m1/s1
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n/an/a 8.40n/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))
BDBM188048
PNG
(US9169252, 582)
Show SMILES C[C@@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C21H23F2N7O2/c1-12(22)7-25-16-5-18(30-19-14(9-29-30)4-13(6-24)8-27-19)26-10-15(16)20(31)28-11-17(23)21(2,3)32/h4-5,8-10,12,17,32H,7,11H2,1-3H3,(H,25,26)(H,28,31)/t12-,17-/m1/s1
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n/an/a 3.80n/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))
BDBM188049
PNG
(US9169252, 583)
Show SMILES C[C@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C21H23F2N7O2/c1-12(22)7-25-16-5-18(30-19-14(9-29-30)4-13(6-24)8-27-19)26-10-15(16)20(31)28-11-17(23)21(2,3)32/h4-5,8-10,12,17,32H,7,11H2,1-3H3,(H,25,26)(H,28,31)/t12-,17+/m0/s1
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n/an/a 4.10n/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))
BDBM187727
PNG
(US9169252, 278 | US9169252, 584)
Show SMILES CC(C)Nc1cc(ncc1C(=O)NC1CCN(CC1)C(=O)C1CN(C1)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C26H31N9O4S/c1-16(2)31-22-9-23(35-24-18(12-30-35)8-17(10-27)11-29-24)28-13-21(22)25(36)32-20-4-6-33(7-5-20)26(37)19-14-34(15-19)40(3,38)39/h8-9,11-13,16,19-20H,4-7,14-15H2,1-3H3,(H,28,31)(H,32,36)
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n/an/a 10n/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))
BDBM188051
PNG
(US9169252, 585)
Show SMILES CC(C)(CN)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C23H29FN8O2/c1-22(2,12-26)13-30-17-6-19(32-20-15(9-31-32)5-14(7-25)8-28-20)27-10-16(17)21(33)29-11-18(24)23(3,4)34/h5-6,8-10,18,34H,11-13,26H2,1-4H3,(H,27,30)(H,29,33)/t18-/m1/s1
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n/an/a 8.5n/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))
BDBM188052
PNG
(US9169252, 586)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCNS(C)(=O)=O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C21H25FN8O4S/c1-21(2,32)17(22)12-27-20(31)15-11-25-18(7-16(15)24-4-5-29-35(3,33)34)30-19-14(10-28-30)6-13(8-23)9-26-19/h6-7,9-11,17,29,32H,4-5,12H2,1-3H3,(H,24,25)(H,27,31)/t17-/m1/s1
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n/an/a 9.70n/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))
BDBM188053
PNG
(US9169252, 587)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCNC(=O)OC(C)(C)C(F)(F)F)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C25H28F4N8O4/c1-23(2,40)18(26)13-35-21(38)16-12-33-19(37-20-15(11-36-37)7-14(9-30)10-34-20)8-17(16)31-5-6-32-22(39)41-24(3,4)25(27,28)29/h7-8,10-12,18,40H,5-6,13H2,1-4H3,(H,31,33)(H,32,39)(H,35,38)/t18-/m1/s1
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n/an/a 13.8n/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))
BDBM188054
PNG
(US9169252, 588)
Show SMILES CC[C@@H](CO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C22H26FN7O3/c1-4-15(12-31)29-17-6-19(30-20-14(9-28-30)5-13(7-24)8-26-20)25-10-16(17)21(32)27-11-18(23)22(2,3)33/h5-6,8-10,15,18,31,33H,4,11-12H2,1-3H3,(H,25,29)(H,27,32)/t15-,18+/m0/s1
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n/an/a 4.40n/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))
BDBM188055
PNG
(US9169252, 589)
Show SMILES CC[C@@H](CO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(Cl)cnc12
Show InChI InChI=1S/C21H26ClFN6O3/c1-4-14(11-30)28-16-6-18(29-19-12(7-27-29)5-13(22)8-25-19)24-9-15(16)20(31)26-10-17(23)21(2,3)32/h5-9,14,17,30,32H,4,10-11H2,1-3H3,(H,24,28)(H,26,31)/t14-,17+/m0/s1
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n/an/a 4.10n/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))
BDBM188056
PNG
(US9169252, 590)
Show SMILES C[C@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12
Show InChI InChI=1S/C21H24F2N8O2/c1-11(22)7-26-15-5-17(27-9-14(15)20(32)28-10-16(23)21(2,3)33)31-19-13(8-29-31)4-12(6-24)18(25)30-19/h4-5,8-9,11,16,33H,7,10H2,1-3H3,(H2,25,30)(H,26,27)(H,28,32)/t11-,16+/m0/s1
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n/an/a 1.90n/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))
BDBM188057
PNG
(US9169252, 591)
Show SMILES C[C@@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12
Show InChI InChI=1S/C21H24F2N8O2/c1-11(22)7-26-15-5-17(27-9-14(15)20(32)28-10-16(23)21(2,3)33)31-19-13(8-29-31)4-12(6-24)18(25)30-19/h4-5,8-9,11,16,33H,7,10H2,1-3H3,(H2,25,30)(H,26,27)(H,28,32)/t11-,16-/m1/s1
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n/an/a 2.70n/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))
BDBM187789
PNG
(US9169252, 337 | US9169252, 592)
Show SMILES CCCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C21H24FN7O2/c1-4-5-24-16-7-18(29-19-14(10-28-29)6-13(8-23)9-26-19)25-11-15(16)20(30)27-12-17(22)21(2,3)31/h6-7,9-11,17,31H,4-5,12H2,1-3H3,(H,24,25)(H,27,30)/t17-/m1/s1
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n/an/a 2.80n/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))
BDBM188059
PNG
(US9169252, 593)
Show SMILES COC(C)(C)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C23H28FN7O3/c1-22(2,34-5)13-29-17-7-19(31-20-15(10-30-31)6-14(8-25)9-27-20)26-11-16(17)21(32)28-12-18(24)23(3,4)33/h6-7,9-11,18,33H,12-13H2,1-5H3,(H,26,29)(H,28,32)/t18-/m1/s1
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n/an/a 19.6n/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))
BDBM188060
PNG
(US9169252, 594 | US9169252, 596)
Show SMILES CC(C)C(O)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(Cl)cnc12
Show InChI InChI=1S/C22H28ClFN6O3/c1-12(2)17(31)10-25-16-6-19(30-20-13(7-29-30)5-14(23)8-27-20)26-9-15(16)21(32)28-11-18(24)22(3,4)33/h5-9,12,17-18,31,33H,10-11H2,1-4H3,(H,25,26)(H,28,32)/t17?,18-/m1/s1
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n/an/a 17.5n/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))
BDBM188061
PNG
(US9169252, 595)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCCF)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C21H23F2N7O2/c1-21(2,32)17(23)12-28-20(31)15-11-26-18(7-16(15)25-5-3-4-22)30-19-14(10-29-30)6-13(8-24)9-27-19/h6-7,9-11,17,32H,3-5,12H2,1-2H3,(H,25,26)(H,28,31)/t17-/m1/s1
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n/an/a 5.30n/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))
BDBM188060
PNG
(US9169252, 594 | US9169252, 596)
Show SMILES CC(C)C(O)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(Cl)cnc12
Show InChI InChI=1S/C22H28ClFN6O3/c1-12(2)17(31)10-25-16-6-19(30-20-13(7-29-30)5-14(23)8-27-20)26-9-15(16)21(32)28-11-18(24)22(3,4)33/h5-9,12,17-18,31,33H,10-11H2,1-4H3,(H,25,26)(H,28,32)/t17?,18-/m1/s1
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n/an/a 18.2n/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))
BDBM188063
PNG
(US9169252, 597)
Show SMILES CC(C)C(O)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C23H28FN7O3/c1-13(2)18(32)11-26-17-6-20(31-21-15(9-30-31)5-14(7-25)8-28-21)27-10-16(17)22(33)29-12-19(24)23(3,4)34/h5-6,8-10,13,18-19,32,34H,11-12H2,1-4H3,(H,26,27)(H,29,33)/t18?,19-/m1/s1
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n/an/a 15.6n/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))
BDBM188064
PNG
(US9169252, 598)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCOC(F)F)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C21H22F3N7O3/c1-21(2,33)16(22)11-29-19(32)14-10-27-17(6-15(14)26-3-4-34-20(23)24)31-18-13(9-30-31)5-12(7-25)8-28-18/h5-6,8-10,16,20,33H,3-4,11H2,1-2H3,(H,26,27)(H,29,32)/t16-/m1/s1
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n/an/a 16.6n/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))
BDBM188065
PNG
(US9169252, 599)
Show SMILES CC(C)(F)CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12
Show InChI InChI=1S/C23H28F2N8O2/c1-22(2,25)5-6-28-16-8-18(29-11-15(16)21(34)30-12-17(24)23(3,4)35)33-20-14(10-31-33)7-13(9-26)19(27)32-20/h7-8,10-11,17,35H,5-6,12H2,1-4H3,(H2,27,32)(H,28,29)(H,30,34)/t17-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 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))
BDBM188066
PNG
(US9169252, 600)
Show SMILES CC(C)(F)CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C23H27F2N7O2/c1-22(2,25)5-6-27-17-8-19(32-20-15(11-31-32)7-14(9-26)10-29-20)28-12-16(17)21(33)30-13-18(24)23(3,4)34/h7-8,10-12,18,34H,5-6,13H2,1-4H3,(H,27,28)(H,30,33)/t18-/m1/s1
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n/an/a 5.30n/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))
BDBM188067
PNG
(US9169252, 601)
Show SMILES CC(C)(CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N)OC(F)F
Show InChI InChI=1S/C23H26F3N7O3/c1-22(2,36-21(25)26)12-31-16-6-18(33-19-14(9-32-33)5-13(7-27)8-29-19)28-10-15(16)20(34)30-11-17(24)23(3,4)35/h5-6,8-10,17,21,35H,11-12H2,1-4H3,(H,28,31)(H,30,34)/t17-/m1/s1
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n/an/a 14.2n/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))
BDBM188068
PNG
(US9169252, 602)
Show SMILES CC[C@@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(Cl)cnc12
Show InChI InChI=1S/C21H25ClF2N6O2/c1-4-14(23)9-25-16-6-18(30-19-12(7-29-30)5-13(22)8-27-19)26-10-15(16)20(31)28-11-17(24)21(2,3)32/h5-8,10,14,17,32H,4,9,11H2,1-3H3,(H,25,26)(H,28,31)/t14-,17-/m1/s1
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n/an/a 9.30n/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))
BDBM188069
PNG
(US9169252, 603)
Show SMILES CC(C)(CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(Cl)cnc12)OC(F)F
Show InChI InChI=1S/C22H26ClF3N6O3/c1-21(2,35-20(25)26)11-30-15-6-17(32-18-12(7-31-32)5-13(23)8-28-18)27-9-14(15)19(33)29-10-16(24)22(3,4)34/h5-9,16,20,34H,10-11H2,1-4H3,(H,27,30)(H,29,33)/t16-/m1/s1
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n/an/a 6.70n/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))
BDBM188070
PNG
(US9169252, 604)
Show SMILES CC(F)CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C22H25F2N7O2/c1-13(23)4-5-26-17-7-19(31-20-15(10-30-31)6-14(8-25)9-28-20)27-11-16(17)21(32)29-12-18(24)22(2,3)33/h6-7,9-11,13,18,33H,4-5,12H2,1-3H3,(H,26,27)(H,29,32)/t13?,18-/m1/s1
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n/an/a 6.10n/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))
BDBM188071
PNG
(US9169252, 605)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1CC1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C22H24FN7O2/c1-22(2,32)18(23)12-28-21(31)16-11-26-19(6-17(16)25-8-13-3-4-13)30-20-15(10-29-30)5-14(7-24)9-27-20/h5-6,9-11,13,18,32H,3-4,8,12H2,1-2H3,(H,25,26)(H,28,31)/t18-/m1/s1
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n/an/a 7.5n/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))
BDBM188072
PNG
(US9169252, 606)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)C(C)(C)O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C27H34FN7O3/c1-26(2,37)18-5-7-19(8-6-18)34-21-10-23(35-24-17(13-33-35)9-16(11-29)12-31-24)30-14-20(21)25(36)32-15-22(28)27(3,4)38/h9-10,12-14,18-19,22,37-38H,5-8,15H2,1-4H3,(H,30,34)(H,32,36)/t18-,19-,22-/m1/s1
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n/an/a 4n/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))
BDBM188076
PNG
(US9169252, 607)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@](C)(O)CC1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C25H30FN7O3/c1-24(2,35)20(26)14-30-23(34)18-13-28-21(9-19(18)32-17-4-6-25(3,36)7-5-17)33-22-16(12-31-33)8-15(10-27)11-29-22/h8-9,11-13,17,20,35-36H,4-7,14H2,1-3H3,(H,28,32)(H,30,34)/t17-,20-,25+/m1/s1
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n/an/a 4n/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))
BDBM188077
PNG
(US9169252, 608)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@](C)(O)CC1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C25H30FN7O3/c1-24(2,35)20(26)14-30-23(34)18-13-28-21(9-19(18)32-17-4-6-25(3,36)7-5-17)33-22-16(12-31-33)8-15(10-27)11-29-22/h8-9,11-13,17,20,35-36H,4-7,14H2,1-3H3,(H,28,32)(H,30,34)/t17-,20-,25-/m1/s1
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n/an/a 12.6n/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))
BDBM188078
PNG
(US9169252, 609 | US9169252, 610 | US9169252, 611)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(O)C1)-n1ncc2cc(F)cnc12
Show InChI InChI=1S/C22H26F2N6O3/c1-22(2,33)18(24)11-27-21(32)16-10-25-19(7-17(16)29-14-3-4-15(31)6-14)30-20-12(8-28-30)5-13(23)9-26-20/h5,7-10,14-15,18,31,33H,3-4,6,11H2,1-2H3,(H,25,29)(H,27,32)/t14?,15?,18-/m1/s1
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n/an/a 22.7n/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))
BDBM188078
PNG
(US9169252, 609 | US9169252, 610 | US9169252, 611)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(O)C1)-n1ncc2cc(F)cnc12
Show InChI InChI=1S/C22H26F2N6O3/c1-22(2,33)18(24)11-27-21(32)16-10-25-19(7-17(16)29-14-3-4-15(31)6-14)30-20-12(8-28-30)5-13(23)9-26-20/h5,7-10,14-15,18,31,33H,3-4,6,11H2,1-2H3,(H,25,29)(H,27,32)/t14?,15?,18-/m1/s1
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n/an/a 8.90n/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))
BDBM188078
PNG
(US9169252, 609 | US9169252, 610 | US9169252, 611)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(O)C1)-n1ncc2cc(F)cnc12
Show InChI InChI=1S/C22H26F2N6O3/c1-22(2,33)18(24)11-27-21(32)16-10-25-19(7-17(16)29-14-3-4-15(31)6-14)30-20-12(8-28-30)5-13(23)9-26-20/h5,7-10,14-15,18,31,33H,3-4,6,11H2,1-2H3,(H,25,29)(H,27,32)/t14?,15?,18-/m1/s1
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n/an/a 17.4n/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))
BDBM188081
PNG
(US9169252, 612)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCC[C@@H](C1)C(C)(C)O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C27H34FN7O3/c1-26(2,37)18-6-5-7-19(9-18)34-21-10-23(35-24-17(13-33-35)8-16(11-29)12-31-24)30-14-20(21)25(36)32-15-22(28)27(3,4)38/h8,10,12-14,18-19,22,37-38H,5-7,9,15H2,1-4H3,(H,30,34)(H,32,36)/t18-,19+,22+/m0/s1
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n/an/a 5.60n/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
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM188082
PNG
(US9169252, 613)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)C2)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C25H28FN7O3/c1-23(2,35)19(26)13-30-22(34)17-12-28-20(33-21-16(11-31-33)7-15(9-27)10-29-21)8-18(17)32-24-3-5-25(36,14-24)6-4-24/h7-8,10-12,19,35-36H,3-6,13-14H2,1-2H3,(H,28,32)(H,30,34)/t19-,24?,25?/m1/s1
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n/an/a 2.80n/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))
BDBM188083
PNG
(US9169252, 614 | US9169252, 615)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)(F)C1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C23H24F3N7O2/c1-22(2,35)18(24)12-30-21(34)16-11-28-19(6-17(16)32-15-3-4-23(25,26)7-15)33-20-14(10-31-33)5-13(8-27)9-29-20/h5-6,9-11,15,18,35H,3-4,7,12H2,1-2H3,(H,28,32)(H,30,34)/t15?,18-/m1/s1
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n/an/a 7.70n/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))
BDBM188083
PNG
(US9169252, 614 | US9169252, 615)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)(F)C1)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C23H24F3N7O2/c1-22(2,35)18(24)12-30-21(34)16-11-28-19(6-17(16)32-15-3-4-23(25,26)7-15)33-20-14(10-31-33)5-13(8-27)9-29-20/h5-6,9-11,15,18,35H,3-4,7,12H2,1-2H3,(H,28,32)(H,30,34)/t15?,18-/m1/s1
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n/an/a 2.30n/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))
BDBM188085
PNG
(US9169252, 616)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)N1CCc2cc(cnc12)C#N
Show InChI InChI=1S/C22H25FN6O2/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/h7-8,10-11,15,18,31H,3-6,12H2,1-2H3,(H,25,28)(H,27,30)/t18-/m1/s1
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n/an/a 10.9n/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))
BDBM188086
PNG
(US9169252, 617)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](C1)C(C)(C)O)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C26H32FN7O3/c1-25(2,36)17-5-6-18(8-17)33-20-9-22(34-23-16(12-32-34)7-15(10-28)11-30-23)29-13-19(20)24(35)31-14-21(27)26(3,4)37/h7,9,11-13,17-18,21,36-37H,5-6,8,14H2,1-4H3,(H,29,33)(H,31,35)/t17-,18-,21+/m0/s1
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n/an/a 2.80n/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))
BDBM188087
PNG
(US9169252, 618 | US9169252, 619 | US9169252, 620 |...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-n1ncc2cc(F)cnc12
Show InChI InChI=1S/C22H25F3N6O2/c1-22(2,33)18(25)11-28-21(32)16-10-26-19(7-17(16)30-15-4-3-13(23)6-15)31-20-12(8-29-31)5-14(24)9-27-20/h5,7-10,13,15,18,33H,3-4,6,11H2,1-2H3,(H,26,30)(H,28,32)/t13?,15?,18-/m1/s1
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n/an/a 5.80n/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))
BDBM188087
PNG
(US9169252, 618 | US9169252, 619 | US9169252, 620 |...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-n1ncc2cc(F)cnc12
Show InChI InChI=1S/C22H25F3N6O2/c1-22(2,33)18(25)11-28-21(32)16-10-26-19(7-17(16)30-15-4-3-13(23)6-15)31-20-12(8-29-31)5-14(24)9-27-20/h5,7-10,13,15,18,33H,3-4,6,11H2,1-2H3,(H,26,30)(H,28,32)/t13?,15?,18-/m1/s1
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n/an/a 4n/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))
BDBM188087
PNG
(US9169252, 618 | US9169252, 619 | US9169252, 620 |...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-n1ncc2cc(F)cnc12
Show InChI InChI=1S/C22H25F3N6O2/c1-22(2,33)18(25)11-28-21(32)16-10-26-19(7-17(16)30-15-4-3-13(23)6-15)31-20-12(8-29-31)5-14(24)9-27-20/h5,7-10,13,15,18,33H,3-4,6,11H2,1-2H3,(H,26,30)(H,28,32)/t13?,15?,18-/m1/s1
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n/an/a 3.40n/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
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