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Patent code US10336762

Compile Data Set for Download or QSAR

Found 1932 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))
BDBM407725
PNG
((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...)
Show SMILES COc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)nc1
Show InChI InChI=1S/C25H24FN7O3/c1-25(2,35)22(26)14-30-24(34)18-13-28-20(9-19(18)32-23-7-5-17(36-3)12-29-23)21-6-4-16-8-15(10-27)11-31-33(16)21/h4-9,11-13,22,35H,14H2,1-3H3,(H,30,34)(H,28,29,32)/t22-/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407278
PNG
((R)-4-((3-(1H-imidazol-5- yl)phenyl)amino)-6-(3- c...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(c1)-c1cnc[nH]1)-c1ccc2cc(cnn12)C#N
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n/an/a 1n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407730
PNG
(6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-4-((6,7- ...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1Cc2ccncc2C1)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C27H26FN7O2/c1-27(2,37)25(28)15-32-26(36)21-14-31-23(24-4-3-20-7-16(11-29)12-33-35(20)24)10-22(21)34-19-8-17-5-6-30-13-18(17)9-19/h3-7,10,12-14,19,25,37H,8-9,15H2,1-2H3,(H,31,34)(H,32,36)/t19?,25-/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407752
PNG
(6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-((R)- 2...)
Show SMILES Cc1nnc(NC[C@H]2C[C@@H](C2)Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)o1
Show InChI InChI=1S/C27H30FN9O3/c1-15-35-36-26(40-15)32-11-16-6-18(7-16)34-21-9-22(23-5-4-19-8-17(10-29)12-33-37(19)23)30-13-20(21)25(38)31-14-24(28)27(2,3)39/h4-5,8-9,12-13,16,18,24,39H,6-7,11,14H2,1-3H3,(H,30,34)(H,31,38)(H,32,36)/t16-,18-,24-/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407327
PNG
(6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-...)
Show SMILES Cc1nnc(N[C@H]2CC[C@@H](CC2)Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)o1
Show InChI InChI=1S/C28H32FN9O3/c1-16-36-37-27(41-16)35-19-6-4-18(5-7-19)34-22-11-23(24-9-8-20-10-17(12-30)13-33-38(20)24)31-14-21(22)26(39)32-15-25(29)28(2,3)40/h8-11,13-14,18-19,25,40H,4-7,15H2,1-3H3,(H,31,34)(H,32,39)(H,35,37)/t18-,19-,25-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407763
PNG
((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCc1ccc(F)cc1)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C27H26F2N6O2/c1-27(2,37)25(29)16-33-26(36)21-15-32-23(24-8-7-20-11-18(13-30)14-34-35(20)24)12-22(21)31-10-9-17-3-5-19(28)6-4-17/h3-8,11-12,14-15,25,37H,9-10,16H2,1-2H3,(H,31,32)(H,33,36)/t25-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407768
PNG
(6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-4-(isopro...)
Show SMILES CC(C)Nc1cc(ncc1C(=O)NCCC(O)C(F)(F)F)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C21H21F3N6O2/c1-12(2)29-16-8-17(18-4-3-14-7-13(9-25)10-28-30(14)18)27-11-15(16)20(32)26-6-5-19(31)21(22,23)24/h3-4,7-8,10-12,19,31H,5-6H2,1-2H3,(H,26,32)(H,27,29)
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n/an/a<1n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407781
PNG
(((1R,3r)-3-((2-(3-cyano- pyrrolo[1,2-b]pyridazin- ...)
Show SMILES CNC(=O)OC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C26H30FN7O4/c1-26(2,37)23(27)13-31-24(35)19-12-30-21(22-5-4-18-8-16(10-28)11-32-34(18)22)9-20(19)33-17-6-15(7-17)14-38-25(36)29-3/h4-5,8-9,11-12,15,17,23,37H,6-7,13-14H2,1-3H3,(H,29,36)(H,30,33)(H,31,35)/t15-,17-,23-/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407330
PNG
((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-4-((4...)
Show SMILES CN(C)C(=O)NC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C30H37FN8O3/c1-28(2,42)25(31)18-34-26(40)21-17-33-23(24-6-5-20-13-19(15-32)16-35-39(20)24)14-22(21)36-29-7-10-30(11-8-29,12-9-29)37-27(41)38(3)4/h5-6,13-14,16-17,25,42H,7-12,18H2,1-4H3,(H,33,36)(H,34,40)(H,37,41)/t25-,29?,30?/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407808
PNG
((R)-methyl 3-((2-(3-cyano- pyrrolo[1,2-b]pyridazin...)
Show SMILES COC(=O)N1CC[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C25H28FN7O4/c1-25(2,36)22(26)13-29-23(34)18-12-28-20(21-5-4-17-8-15(10-27)11-30-33(17)21)9-19(18)31-16-6-7-32(14-16)24(35)37-3/h4-5,8-9,11-12,16,22,36H,6-7,13-14H2,1-3H3,(H,28,31)(H,29,34)/t16-,22-/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407360
PNG
(6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1CO)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C23H25FN6O3/c1-23(2,33)21(24)11-27-22(32)16-10-26-19(7-18(16)29-17-6-14(17)12-31)20-4-3-15-5-13(8-25)9-28-30(15)20/h3-5,7,9-10,14,17,21,31,33H,6,11-12H2,1-2H3,(H,26,29)(H,27,32)/t14?,17?,21-/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407374
PNG
(4-(((1r,4R)-4-aminocyclo- hexyl)amino)-6-(3-cyano-...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@H](N)CC1)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C25H30FN7O2/c1-25(2,35)23(26)14-30-24(34)19-13-29-21(10-20(19)32-17-5-3-16(28)4-6-17)22-8-7-18-9-15(11-27)12-31-33(18)22/h7-10,12-13,16-17,23,35H,3-6,14,28H2,1-2H3,(H,29,32)(H,30,34)/t16-,17-,23-/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407815
PNG
((R)-methyl ((3-((2-(3- cyanopyrrolo[1,2- b]pyridaz...)
Show SMILES COC(=O)NCC1(O)CC(C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C26H30FN7O5/c1-25(2,37)22(27)13-30-23(35)18-12-29-20(21-5-4-17-6-15(10-28)11-32-34(17)21)7-19(18)33-16-8-26(38,9-16)14-31-24(36)39-3/h4-7,11-12,16,22,37-38H,8-9,13-14H2,1-3H3,(H,29,33)(H,30,35)(H,31,36)/t16?,22-,26?/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407817
PNG
((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)-c1ccncc1)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C27H24FN9O2/c1-27(2,39)25(28)15-32-26(38)21-14-31-23(24-4-3-20-9-17(11-29)12-34-37(20)24)10-22(21)35-18-13-33-36(16-18)19-5-7-30-8-6-19/h3-10,12-14,16,25,39H,15H2,1-2H3,(H,31,35)(H,32,38)/t25-/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407823
PNG
((R)-4-((4-(1H-imidazol-1- yl)phenyl)amino)-6-(3- c...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-n1ccnc1)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C28H25FN8O2/c1-28(2,39)26(29)16-33-27(38)22-15-32-24(25-8-7-21-11-18(13-30)14-34-37(21)25)12-23(22)35-19-3-5-20(6-4-19)36-10-9-31-17-36/h3-12,14-15,17,26,39H,16H2,1-2H3,(H,32,35)(H,33,38)/t26-/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407825
PNG
((R)-4-((4-(1H-pyrazol-1- yl)phenyl)amino)-6-(3- cy...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-n1cccn1)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C28H25FN8O2/c1-28(2,39)26(29)17-32-27(38)22-16-31-24(25-9-8-21-12-18(14-30)15-34-37(21)25)13-23(22)35-19-4-6-20(7-5-19)36-11-3-10-33-36/h3-13,15-16,26,39H,17H2,1-2H3,(H,31,35)(H,32,38)/t26-/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407828
PNG
((R)-4-((4-(4H-1,2,4- triazol-4-yl)phenyl)amino)- 6...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-n1cnnc1)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C27H24FN9O2/c1-27(2,39)25(28)14-31-26(38)21-13-30-23(24-8-7-20-9-17(11-29)12-34-37(20)24)10-22(21)35-18-3-5-19(6-4-18)36-15-32-33-16-36/h3-10,12-13,15-16,25,39H,14H2,1-2H3,(H,30,35)(H,31,38)/t25-/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407834
PNG
((R)-4-((6-(2H-1,2,3-triazol- 2-yl)pyridin-3-yl)ami...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)-n1nccn1)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C26H23FN10O2/c1-26(2,39)23(27)15-31-25(38)19-14-29-21(22-5-4-18-9-16(11-28)12-34-36(18)22)10-20(19)35-17-3-6-24(30-13-17)37-32-7-8-33-37/h3-10,12-14,23,39H,15H2,1-2H3,(H,29,35)(H,31,38)/t23-/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407839
PNG
(4-(((1r,3R)-3-((1H- imidazol-1-yl)methyl)cyclo- bu...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](Cn2ccnc2)C1)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C27H29FN8O2/c1-27(2,38)25(28)14-32-26(37)21-13-31-23(24-4-3-20-9-18(11-29)12-33-36(20)24)10-22(21)34-19-7-17(8-19)15-35-6-5-30-16-35/h3-6,9-10,12-13,16-17,19,25,38H,7-8,14-15H2,1-2H3,(H,31,34)(H,32,37)/t17-,19-,25-/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407400
PNG
(6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-4-((4- hy...)
Show SMILES CC(C)(CCNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N)NS(C)(=O)=O
Show InChI InChI=1S/C28H35N7O4S/c1-26(2,34-40(3,38)39)12-13-30-25(36)21-18-31-23(24-5-4-20-14-19(16-29)17-32-35(20)24)15-22(21)33-27-6-9-28(37,10-7-27)11-8-27/h4-5,14-15,17-18,34,37H,6-13H2,1-3H3,(H,30,36)(H,31,33)
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407859
PNG
(6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-4-((4- hy...)
Show SMILES CNC(=O)CCNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C26H29N7O3/c1-28-23(34)4-11-29-24(35)19-16-30-21(22-3-2-18-12-17(14-27)15-31-33(18)22)13-20(19)32-25-5-8-26(36,9-6-25)10-7-25/h2-3,12-13,15-16,36H,4-11H2,1H3,(H,28,34)(H,29,35)(H,30,32)
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407866
PNG
(6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-(3- hyd...)
Show SMILES CC(C)(O)C(=O)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C27H30N6O4/c1-25(2,36)23(34)16-30-24(35)19-15-29-21(22-4-3-18-11-17(13-28)14-31-33(18)22)12-20(19)32-26-5-8-27(37,9-6-26)10-7-26/h3-4,11-12,14-15,36-37H,5-10,16H2,1-2H3,(H,29,32)(H,30,35)
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407871
PNG
(US10336762, Compound 815 | methyl (((1r,3r)-3-((2-...)
Show SMILES COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NCC(=O)C(C)(C)O)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C26H29N7O5/c1-26(2,37)23(34)14-29-24(35)19-13-28-21(22-5-4-18-8-16(10-27)12-31-33(18)22)9-20(19)32-17-6-15(7-17)11-30-25(36)38-3/h4-5,8-9,12-13,15,17,37H,6-7,11,14H2,1-3H3,(H,28,32)(H,29,35)(H,30,36)/t15-,17-
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407300
PNG
((R)-4-((4-(acetamidomethyl) phenyl)amino)-6-(3- cy...)
Show SMILES CC(=O)NCc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1
Show InChI InChI=1S/C28H28FN7O3/c1-17(37)31-13-18-4-6-20(7-5-18)35-23-11-24(25-9-8-21-10-19(12-30)14-34-36(21)25)32-15-22(23)27(38)33-16-26(29)28(2,3)39/h4-11,14-15,26,39H,13,16H2,1-3H3,(H,31,37)(H,32,35)(H,33,38)/t26-/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407745
PNG
((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(F)cn1)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C24H21F2N7O2/c1-24(2,35)21(26)13-30-23(34)17-12-28-19(8-18(17)32-22-6-3-15(25)11-29-22)20-5-4-16-7-14(9-27)10-31-33(16)20/h3-8,10-12,21,35H,13H2,1-2H3,(H,30,34)(H,28,29,32)/t21-/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407748
PNG
((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(C)(CC1)N1CCOCC1)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C30H38FN7O3/c1-29(2,40)27(31)19-34-28(39)23-18-33-25(26-5-4-22-14-20(16-32)17-35-38(22)26)15-24(23)36-21-6-8-30(3,9-7-21)37-10-12-41-13-11-37/h4-5,14-15,17-18,21,27,40H,6-13,19H2,1-3H3,(H,33,36)(H,34,39)/t21?,27-,30?/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407753
PNG
(6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-4- (((1R,...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)C2CC2(F)F)C1)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C28H30F3N7O3/c1-27(2,41)24(29)14-35-25(39)19-13-33-22(23-4-3-18-7-16(10-32)12-36-38(18)23)8-21(19)37-17-5-15(6-17)11-34-26(40)20-9-28(20,30)31/h3-4,7-8,12-13,15,17,20,24,41H,5-6,9,11,14H2,1-2H3,(H,33,37)(H,34,40)(H,35,39)/t15-,17-,20?,24-/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407754
PNG
(6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-4-(((1r,3...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNc2nnc(o2)C2CC2)C1)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C29H32FN9O3/c1-29(2,41)25(30)15-33-26(40)21-14-32-23(24-6-5-20-9-17(11-31)13-35-39(20)24)10-22(21)36-19-7-16(8-19)12-34-28-38-37-27(42-28)18-3-4-18/h5-6,9-10,13-14,16,18-19,25,41H,3-4,7-8,12,15H2,1-2H3,(H,32,36)(H,33,40)(H,34,38)/t16-,19-,25-/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407320
PNG
(6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCCC1O)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C24H27FN6O3/c1-24(2,34)22(25)13-28-23(33)16-12-27-19(9-18(16)30-17-4-3-5-21(17)32)20-7-6-15-8-14(10-26)11-29-31(15)20/h6-9,11-12,17,21-22,32,34H,3-5,13H2,1-2H3,(H,27,30)(H,28,33)/t17-,21?,22+/m0/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407770
PNG
(6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CN2CCOC2=O)C1)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C27H30FN7O4/c1-27(2,38)24(28)14-31-25(36)20-13-30-22(23-4-3-19-9-17(11-29)12-32-35(19)23)10-21(20)33-18-7-16(8-18)15-34-5-6-39-26(34)37/h3-4,9-10,12-13,16,18,24,38H,5-8,14-15H2,1-2H3,(H,30,33)(H,31,36)/t16-,18-,24-/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407772
PNG
((R)-methyl (3-((2-(3- cyanopyrrolo[1,2- b]pyridazi...)
Show SMILES COC(=O)NCCCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C24H28FN7O4/c1-24(2,35)21(25)14-30-22(33)17-13-29-19(10-18(17)27-7-4-8-28-23(34)36-3)20-6-5-16-9-15(11-26)12-31-32(16)20/h5-6,9-10,12-13,21,35H,4,7-8,14H2,1-3H3,(H,27,29)(H,28,34)(H,30,33)/t21-/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407342
PNG
(6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-((R)- 2...)
Show SMILES COCC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C28H34FN7O4/c1-28(2,39)25(29)15-32-27(38)21-14-31-23(24-9-8-20-10-17(12-30)13-33-36(20)24)11-22(21)34-18-4-6-19(7-5-18)35-26(37)16-40-3/h8-11,13-14,18-19,25,39H,4-7,15-16H2,1-3H3,(H,31,34)(H,32,38)(H,35,37)/t18-,19-,25-/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407350
PNG
(US10336762, Compound 292 | ethyl ((1R,4r)-4-((2-(3...)
Show SMILES CCOC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C28H34FN7O4/c1-4-40-27(38)35-19-7-5-18(6-8-19)34-22-12-23(24-10-9-20-11-17(13-30)14-33-36(20)24)31-15-21(22)26(37)32-16-25(29)28(2,3)39/h9-12,14-15,18-19,25,39H,4-8,16H2,1-3H3,(H,31,34)(H,32,37)(H,35,38)/t18-,19-,25-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407790
PNG
(((1R,3r)-3-((2-(3- cyanopyrrolo[1,2- b]pyridazin-7...)
Show SMILES CN(C)C(=O)OC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C27H32FN7O4/c1-27(2,38)24(28)14-31-25(36)20-13-30-22(23-6-5-19-9-17(11-29)12-32-35(19)23)10-21(20)33-18-7-16(8-18)15-39-26(37)34(3)4/h5-6,9-10,12-13,16,18,24,38H,7-8,14-15H2,1-4H3,(H,30,33)(H,31,36)/t16-,18-,24-/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407798
PNG
((S)-methyl 3-((6-(3-cyano- pyrrolo[1,2-b]pyridazin...)
Show SMILES COC(=O)N1CC[C@@H](CNC(=O)c2cnc(cc2NC23CCC(O)(CC2)CC3)-c2ccc3cc(cnn23)C#N)C1
Show InChI InChI=1S/C29H33N7O4/c1-40-27(38)35-11-4-19(18-35)15-32-26(37)22-17-31-24(25-3-2-21-12-20(14-30)16-33-36(21)25)13-23(22)34-28-5-8-29(39,9-6-28)10-7-28/h2-3,12-13,16-17,19,39H,4-11,15,18H2,1H3,(H,31,34)(H,32,37)/t19-,28?,29?/m0/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407805
PNG
((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-4-((6...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC2(C1)CC(F)(F)C2)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C26H27F3N6O2/c1-24(2,37)22(27)12-32-23(36)18-11-31-20(21-4-3-17-5-15(9-30)10-33-35(17)21)6-19(18)34-16-7-25(8-16)13-26(28,29)14-25/h3-6,10-11,16,22,37H,7-8,12-14H2,1-2H3,(H,31,34)(H,32,36)/t22-/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407810
PNG
((R)-methyl (6-((2-(3- cyanopyrrolo[1,2- b]pyridazi...)
Show SMILES COC(=O)NC1CC2(C1)CC(C2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C28H32FN7O4/c1-27(2,39)24(29)15-32-25(37)20-14-31-22(23-5-4-19-6-16(12-30)13-33-36(19)23)7-21(20)34-17-8-28(9-17)10-18(11-28)35-26(38)40-3/h4-7,13-14,17-18,24,39H,8-11,15H2,1-3H3,(H,31,34)(H,32,37)(H,35,38)/t17?,18?,24-,28?/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407360
PNG
(6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1CO)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C23H25FN6O3/c1-23(2,33)21(24)11-27-22(32)16-10-26-19(7-18(16)29-17-6-14(17)12-31)20-4-3-15-5-13(8-25)9-28-30(15)20/h3-5,7,9-10,14,17,21,31,33H,6,11-12H2,1-2H3,(H,26,29)(H,27,32)/t14?,17?,21-/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407385
PNG
(6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-((R)- 2...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCNC(=O)C1)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C24H26FN7O3/c1-24(2,35)21(25)13-29-23(34)17-12-28-19(9-18(17)31-15-5-6-27-22(33)8-15)20-4-3-16-7-14(10-26)11-30-32(16)20/h3-4,7,9,11-12,15,21,35H,5-6,8,13H2,1-2H3,(H,27,33)(H,28,31)(H,29,34)/t15?,21-/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407389
PNG
(6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-(2-(3,3...)
Show SMILES OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC(=O)N1CC(F)(F)C1)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C27H27F2N7O3/c28-27(29)15-35(16-27)23(37)14-32-24(38)19-13-31-21(22-2-1-18-9-17(11-30)12-33-36(18)22)10-20(19)34-25-3-6-26(39,7-4-25)8-5-25/h1-2,9-10,12-13,39H,3-8,14-16H2,(H,31,34)(H,32,38)
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407392
PNG
(6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-4-((4- hy...)
Show SMILES CNC(=O)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C25H27N7O3/c1-27-22(33)15-29-23(34)18-14-28-20(21-3-2-17-10-16(12-26)13-30-32(17)21)11-19(18)31-24-4-7-25(35,8-5-24)9-6-24/h2-3,10-11,13-14,35H,4-9,15H2,1H3,(H,27,33)(H,28,31)(H,29,34)
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407404
PNG
(6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-4-((4- hy...)
Show SMILES OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCCC1CCCO1)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C28H32N6O3/c29-16-19-14-20-3-4-25(34(20)32-17-19)24-15-23(33-27-6-9-28(36,10-7-27)11-8-27)22(18-31-24)26(35)30-12-5-21-2-1-13-37-21/h3-4,14-15,17-18,21,36H,1-2,5-13H2,(H,30,35)(H,31,33)
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407406
PNG
(N-(cyanomethyl)-6-(3- cyanopyrrolo[1,2-b] pyridazi...)
Show SMILES OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C24H23N7O2/c25-9-10-27-22(32)18-15-28-20(21-2-1-17-11-16(13-26)14-29-31(17)21)12-19(18)30-23-3-6-24(33,7-4-23)8-5-23/h1-2,11-12,14-15,33H,3-8,10H2,(H,27,32)(H,28,30)
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407854
PNG
(6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2- (3,...)
Show SMILES OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC(=O)N1CCC(F)(F)C1)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C28H29F2N7O3/c29-28(30)9-10-36(17-28)24(38)16-33-25(39)20-15-32-22(23-2-1-19-11-18(13-31)14-34-37(19)23)12-21(20)35-26-3-6-27(40,7-4-26)8-5-26/h1-2,11-12,14-15,40H,3-10,16-17H2,(H,32,35)(H,33,39)
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407428
PNG
((R)-4-((1-benzyl-1H- pyrazol-3-yl)amino)-6- (3-cya...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccn(Cc2ccccc2)n1)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C29H27FN8O2/c1-29(2,40)26(30)17-33-28(39)22-16-32-24(25-9-8-21-12-20(14-31)15-34-38(21)25)13-23(22)35-27-10-11-37(36-27)18-19-6-4-3-5-7-19/h3-13,15-16,26,40H,17-18H2,1-2H3,(H,33,39)(H,32,35,36)/t26-/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407433
PNG
((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1nccs1)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C22H20FN7O2S/c1-22(2,32)19(23)12-27-20(31)15-11-26-17(8-16(15)29-21-25-5-6-33-21)18-4-3-14-7-13(9-24)10-28-30(14)18/h3-8,10-11,19,32H,12H2,1-2H3,(H,27,31)(H,25,26,29)/t19-/m1/s1
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407879
PNG
(6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-...)
Show SMILES COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C26H30FN7O4/c1-26(2,37)23(27)14-30-24(35)19-13-29-21(22-5-4-18-8-16(10-28)12-32-34(18)22)9-20(19)33-17-6-15(7-17)11-31-25(36)38-3/h4-5,8-9,12-13,15,17,23,37H,6-7,11,14H2,1-3H3,(H,29,33)(H,30,35)(H,31,36)/t15-,17-,23-/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407886
PNG
(US10336762, Compound 830 | methyl (((1R,3r)-3-((2-...)
Show SMILES COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC1CC[C@@H](CC1)NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C31H36N8O4/c1-43-31(42)34-15-18-10-23(11-18)36-26-13-27(28-9-8-24-12-19(14-32)16-35-39(24)28)33-17-25(26)30(41)38-22-6-4-21(5-7-22)37-29(40)20-2-3-20/h8-9,12-13,16-18,20-23H,2-7,10-11,15H2,1H3,(H,33,36)(H,34,42)(H,37,40)(H,38,41)/t18-,21-,22?,23-
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Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407899
PNG
((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...)
Show SMILES CCCc1nccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)n1
Show InChI InChI=1S/C26H27FN8O2/c1-4-5-23-29-9-8-24(34-23)33-19-11-20(21-7-6-17-10-16(12-28)13-32-35(17)21)30-14-18(19)25(36)31-15-22(27)26(2,3)37/h6-11,13-14,22,37H,4-5,15H2,1-3H3,(H,31,36)(H,29,30,33,34)/t22-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM407454
PNG
((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...)
Show SMILES COC1CN(C1)C(=O)C12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N
Show InChI InChI=1S/C32H38FN7O4/c1-30(2,43)27(33)17-36-28(41)23-16-35-25(26-5-4-21-12-20(14-34)15-37-40(21)26)13-24(23)38-32-9-6-31(7-10-32,8-11-32)29(42)39-18-22(19-39)44-3/h4-5,12-13,15-16,22,27,43H,6-11,17-19H2,1-3H3,(H,35,38)(H,36,41)/t27-,31?,32?/m1/s1
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US Patent
n/an/a 1n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (GibcoŽ 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...


US Patent US10336762 (2019)


BindingDB Entry DOI: 10.7270/Q2GH9MBG
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%