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Compile Data Set for Download or QSAR

Found 109 hits Enz. Inhib. hit(s) with all data for entry = 560   
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))
BDBM278854
PNG
(2-[(3S)- or (3R)- azepan-3-ylamino]-N- [3-(difluor...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCCNC4)nc23)c(n1)C(F)F |r|
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n/an/a 0.200n/an/an/an/a7.2n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278845
PNG
(2[(3R)-3- aminopiperidin-1-yl] N-[3-(difluoromethy...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCC[C@@H](N)C2)c(n1)C(F)F |r|
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n/an/a 0.200n/an/an/an/a7.2n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278846
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-[3-(diflu...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)F |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278856
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(3-chloro...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(Cl)n1 |r|
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n/an/a 0.300n/an/an/an/a7.2n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278858
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(3-cyano-...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C#N |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50130660
PNG
(CHEMBL3634509 | US10040802, Example 32)
Show SMILES Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCNC4)nc23)c(n1)C(F)F |r|
Show InChI InChI=1/C17H19F2N7OS/c1-26-7-11(14(25-26)15(18)19)23-16(27)10-8-28-17-13(10)24-12(6-21-17)22-9-3-2-4-20-5-9/h6-9,15,20H,2-5H2,1H3,(H,22,24)(H,23,27)/t9-/s2
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278898
PNG
(2-{[(1R,2S)-2-amino- cyclohexyl]amino}- N-(2-(cyan...)
Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccsc3C#N)c2n1 |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278865
PNG
(2-(3,8- diazabicyclo[3.2.1] oct-8-yl)-N-[3- (diflu...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2C3CCC2CNC3)c(n1)C(F)F
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278915
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]- amino}-N-(2- cyan...)
Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccccc3C#N)c2n1 |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278878
PNG
(2-{[(1R,2S)-2-amino- cyclohexyl]amino}- N-(4-cyano...)
Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3cscc3C#N)c2n1 |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278861
PNG
(2-(3,8- diazabicyclo[3.2.1] oct-3-yl)-N-[3- (diflu...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2CC3CCC(C2)N3)c(n1)C(F)F
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278874
PNG
(2-{[(1R,2S)-2-amino- cyclohexyl]amino}- N-(4-bromo...)
Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3cscc3Br)c2n1 |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278851
PNG
(2-{[(1R,2S)-2- aminocyclohexyl] amino}-N-(3-bromo-...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(Br)n1 |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278877
PNG
(2-{[(1R,2S)-2-amino- cyclohexyl]amino}- N-(2-chlor...)
Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccsc3Cl)c2n1 |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278859
PNG
(2-[(3S)- or (3R)- azepan-3-ylamino]-N- [1-methyl-3...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCCNC4)nc23)c(n1)C(F)(F)F |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278930
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]- amino}-N-(4- chlo...)
Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3cscc3Cl)c2n1 |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278871
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(4-(diflu...)
Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3cscc3C(F)F)c2n1 |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278912
PNG
(2-{(1R,2S)-2- aminocyclohexyl]- amino}-N-(2- chlor...)
Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccccc3Cl)c2n1 |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278825
PNG
(N-[1-methyl-3- (trifluoromethyl)-1H- pyrazol-4-yl]...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCNC4)nc23)c(n1)C(F)(F)F |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278844
PNG
(2-[(1S,4S)- or (1R,4R)- 2,5-diazabicyclo[2.2.2] oc...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2C[C@H]3CC[C@@H]2CN3)c(n1)C(F)F |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278875
PNG
(2-{[(1R,2S)-2-amino- cyclohexyl]amino}- N-(2-bromo...)
Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccsc3Br)c2n1 |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278830
PNG
(2-[(3R)-3- aminopiperidin-1-yl]- N-[1-methyl-3- (t...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCC[C@@H](N)C2)c(n1)C(F)(F)F |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278907
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]- amino}-N-(2- brom...)
Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccccc3Br)c2n1 |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278905
PNG
(N-(2- cyanophenyl)-2- [(3R)-piperidin- 3-ylamino]-...)
Show SMILES OC(=O)C(F)(F)F.O=C(Nc1ccccc1C#N)c1csc2ncc(N[C@@H]3CCCNC3)nc12 |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278866
PNG
(2-(3,8- diazabicyclo[3.2.1]oct- 8-yl)-N-[1-methyl-...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2C3CCC2CNC3)c(n1)C(F)(F)F
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US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278855
PNG
(2-[(3S)- or (3R)- azepan-3-ylamino]-N- [3-(difluor...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(N[C@H]4CCCCNC4)nc23)c(n1)C(F)F |r|
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US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278833
PNG
(N-[3-(difluoromethyl)- 1-methyl-1H-pyrazol- 4-yl]-...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCNCC2)c(n1)C(F)F
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278836
PNG
(2-(azepan-3-ylamino)- N-[1-methyl-3 (trifluorometh...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(NC4CCCCNC4)nc23)c(n1)C(F)(F)F
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n/an/a 4n/an/an/an/a7.2n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278832
PNG
(2-(2,5- diazabicyclo[2.2.2] oct-2-yl)-N-[3- (diflu...)
Show SMILES Cn1cc(NC(=O)c2csc3ncc(nc23)N2CC3CCC2CN3)c(n1)C(F)F
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278913
PNG
(2-[(3S)- or (3R)- azepan-3- ylamino]-N-(2- cyanoph...)
Show SMILES OC(=O)C(F)(F)F.O=C(Nc1ccccc1C#N)c1csc2ncc(N[C@H]3CCCCNC3)nc12 |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278835
PNG
(2-(1,4-diazepan-1-yl)- N-[3-(difluoromethyl)- 1-me...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCCNCC2)c(n1)C(F)F
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n/an/a 5n/an/an/an/a7.2n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278834
PNG
(2-(5,8- diazaspiro[2.6]non-5- yl)-N-[3- (difluorom...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCNCC3(CC3)C2)c(n1)C(F)F
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n/an/a 6n/an/an/an/a7.2n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278852
PNG
(2-[(3S)- or (3R)- azepan-3-ylamino]-N- [1-methyl-3...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(N[C@H]4CCCCNC4)nc23)c(n1)C(F)(F)F |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278843
PNG
(2-[(1S,4S)- or (1R,4R)- 2,5-diazabicyclo[2.2.2] oc...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2C[C@@H]3CC[C@H]2CN3)c(n1)C(F)F |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278914
PNG
(2-[(3S)- or (3R)- azepan-3- ylamino]-N-(2- cyanoph...)
Show SMILES OC(=O)C(F)(F)F.O=C(Nc1ccccc1C#N)c1csc2ncc(N[C@@H]3CCCCNC3)nc12 |r|
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n/an/a 9n/an/an/an/a7.2n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278897
PNG
(2-{[(1R,2S)-2-amino- cyclohexyl]amino}- N-(2-(trif...)
Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccsc3C(F)(F)F)c2n1 |r|
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n/an/a 12n/an/an/an/a7.2n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278839
PNG
(N-(3-chloro-1-methyl- 1H-pyrazol-4-yl)-2- (1,4-dia...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCCNCC2)c(Cl)n1
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n/an/a 14n/an/an/an/a7.2n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278838
PNG
(N-(3-chloro-1-methyl- 1H-pyrazol-4-yl)-2- [(1S,4S)...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2C[C@H]3CC[C@@H]2CN3)c(Cl)n1 |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278842
PNG
(N-(3-bromo-1-methyl- 1H-pyrazol-4-yl)-2- (1,4-diaz...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCCNCC2)c(Br)n1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278863
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(1-methyl...)
Show SMILES OC(=O)C(F)(F)F.C[N]1=C(C(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)=CN1)C(F)(F)F |r,c:32,t:7|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278827
PNG
(2-(1,4-diazepan-1-yl)- N-[1-methyl-3- (trifluorome...)
Show SMILES Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCCNCC2)c(n1)C(F)(F)F
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278862
PNG
(2-(3,8- diazabicyclo[3.2.1]oct- 3-yl)-N-[1-methyl-...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2CC3CCC(C2)N3)c(n1)C(F)(F)F
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278829
PNG
(2-(5,8- diazaspiro[2.6]non-5- yl)-N-[1-methyl-3- (...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCNCC3(CC3)C2)c(n1)C(F)(F)F
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278841
PNG
(N-(3-bromo-1-methyl- 1H-pyrazol-4-yl)-2- [(1S,4S)-...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2C[C@H]3CC[C@@H]2CN3)c(Br)n1 |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278880
PNG
(2-[(1S,4S)- or (1R,4R)- 2,5-diazabicyclo [2.2.2]oc...)
Show SMILES OC(=O)C(F)(F)F.FC(F)c1cscc1NC(=O)c1csc2ncc(nc12)N1C[C@H]2CC[C@@H]1CN2 |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278922
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]- amino}-N-[2- (dif...)
Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccccc3C(F)F)c2n1 |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278849
PNG
(N-(3-cyano-1-methyl- 1H-pyrazol-4-yl)-2- (1,4-diaz...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCCNCC2)c(n1)C#N
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278831
PNG
(N-[3-(difluoromethyl)- 1-methyl-1H-pyrazol- 4-yl]-...)
Show SMILES Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4O)nc23)c(n1)C(F)F |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278860
PNG
(2-{[(1R,2R)-2-amino- 3,3-difluorocyclohexyl] amino...)
Show SMILES Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nc23)c(n1)C(F)F |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278904
PNG
(2-[(3R)-3- aminopiperidin- 1-yl]-N-(2- cyanophenyl...)
Show SMILES OC(=O)C(F)(F)F.N[C@@H]1CCCN(C1)c1cnc2scc(C(=O)Nc3ccccc3C#N)c2n1 |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair
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