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Compile Data Set for Download or QSAR

Found 729 hits with Last Name = 'gibeau' and Initial = 'cr'   
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))
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))
BDBM278744
PNG
(2-[(3R)- or (3S)-azepan- 3-ylamino]-N-[3- (difluor...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCCNC4)nn23)c(n1)C(F)F |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040798 (2018)


BindingDB Entry DOI: 10.7270/Q2F191Q7
More data for this
Ligand-Target Pair
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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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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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))
BDBM278745
PNG
(2-[(3R)- or (3S)-azepan- 3-ylamino]-N-[3- (difluor...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(N[C@H]4CCCCNC4)nn23)c(n1)C(F)F |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040798 (2018)


BindingDB Entry DOI: 10.7270/Q2F191Q7
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))
BDBM50095470
PNG
(CHEMBL3590474 | US10155765, Example 9)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(N)=O |r|
Show InChI InChI=1S/C21H25N3O/c1-23(2)14-9-15-25-21-16-20(19-12-7-4-8-13-19)24(22-21)17-18-10-5-3-6-11-18/h3-8,10-13,16H,9,14-15,17H2,1-2H3
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10155765 (2018)


BindingDB Entry DOI: 10.7270/Q21V5H2J
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))
BDBM278716
PNG
(2-[(3R)-3- aminopiperidin-1-yl]-N- [3-(difluoromet...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(nn23)N2CCC[C@@H](N)C2)c(n1)C(F)F |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040798 (2018)


BindingDB Entry DOI: 10.7270/Q2F191Q7
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278715
PNG
(2-[(3R)-3- aminopiperidin-1-yl]-N- [1-methyl-3- (t...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(nn23)N2CCC[C@@H](N)C2)c(n1)C(F)(F)F |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040798 (2018)


BindingDB Entry DOI: 10.7270/Q2F191Q7
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))
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))
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))
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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n/an/a 0.600n/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))
BDBM312059
PNG
(5-{[(1R,2S)-2-Aminocyclohexyl]amino}-N-(3-carbamoy...)
Show SMILES CCn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(N)=O |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10155765 (2018)


BindingDB Entry DOI: 10.7270/Q21V5H2J
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM311516
PNG
(5-{[(3R,4R)-3- aminotetrahydro-2H- pyran-4-yl]amin...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCOC[C@@H]4N)nc23)c(n1)C(N)=O |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10155765 (2018)


BindingDB Entry DOI: 10.7270/Q21V5H2J
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))
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))
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))
BDBM278732
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(3-cyano-...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C#N |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040798 (2018)


BindingDB Entry DOI: 10.7270/Q2F191Q7
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))
BDBM311563
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(3-carbam...)
Show SMILES Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(N)=O |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10155765 (2018)


BindingDB Entry DOI: 10.7270/Q21V5H2J
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))
BDBM311525
PNG
(5-[(2- aminoethyl)amino]-N- (3-carbamoyl-1-pyridin...)
Show SMILES NCCNc1ccn2ncc(C(=O)Nc3cn(nc3C(N)=O)-c3cccnc3)c2n1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10155765 (2018)


BindingDB Entry DOI: 10.7270/Q21V5H2J
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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n/an/a 0.800n/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))
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))
BDBM311520
PNG
(5-{[cis-2- aminocyclohexyl]amino}- N-(3-carbamoyl-...)
Show SMILES N[C@@H]1CCCC[C@@H]1Nc1ccn2ncc(C(=O)Nc3cn(nc3C(N)=O)-c3cccnc3)c2n1 |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10155765 (2018)


BindingDB Entry DOI: 10.7270/Q21V5H2J
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM312068
PNG
(2-[(2-Aminoethyl)amino]-N-(3-carbamoyl-1-methyl-1H...)
Show SMILES Cn1cc(NC(=O)c2ccc3cnc(NCCN)nn23)c(n1)C(N)=O
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10155765 (2018)


BindingDB Entry DOI: 10.7270/Q21V5H2J
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278719
PNG
(N-[3-(difluoromethyl)- 1-methyl-1H-pyrazol-4- yl]-...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCNC4)nn23)c(n1)C(F)F |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040798 (2018)


BindingDB Entry DOI: 10.7270/Q2F191Q7
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278749
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)c2ccc3ccc(nn23)N2CC3CCC(C2)N3)c(n1)C(F)F
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040798 (2018)


BindingDB Entry DOI: 10.7270/Q2F191Q7
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM311533
PNG
(5-{[(1R,2S)-2- aminocyclohexyl]amino}- N-[3-carbam...)
Show SMILES CC(C)n1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(N)=O |r|
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Merck Sharp & Dohme Corp.

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US Patent US10155765 (2018)


BindingDB Entry DOI: 10.7270/Q21V5H2J
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM311534
PNG
(5-{[(1R,2S)-2- aminocyclohexyl]amino}- N-[3-carbam...)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cn(CCO)nc3C(N)=O)c2n1 |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10155765 (2018)


BindingDB Entry DOI: 10.7270/Q21V5H2J
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM311564
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(3-carbam...)
Show SMILES CCn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(N)=O |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10155765 (2018)


BindingDB Entry DOI: 10.7270/Q21V5H2J
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278728
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(3-chloro...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(Cl)n1 |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040798 (2018)


BindingDB Entry DOI: 10.7270/Q2F191Q7
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))
BDBM278709
PNG
(N-[1-methyl-3- (trifluoromethyl)-1H- pyrazol-4-yl]...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCNC4)nn23)c(n1)C(F)(F)F |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040798 (2018)


BindingDB Entry DOI: 10.7270/Q2F191Q7
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278722
PNG
(2-{[(1R,2S)-2- aminocyclo- hexyl]amino}-N-[3- (dif...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(F)F |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040798 (2018)


BindingDB Entry DOI: 10.7270/Q2F191Q7
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))
BDBM278743
PNG
(2-[(3R)- or (3S)-azepan- 3-ylamino]-N-[1- methyl-3...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(N[C@H]4CCCCNC4)nn23)c(n1)C(F)(F)F |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040798 (2018)


BindingDB Entry DOI: 10.7270/Q2F191Q7
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM278777
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(2-cyanot...)
Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3ccsc3C#N)n2n1 |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10040798 (2018)


BindingDB Entry DOI: 10.7270/Q2F191Q7
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM311527
PNG
(5-[(2- aminocycloheptyl)amino]- N-(3-carbamoyl-1- ...)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(NC4CCCCCC4N)nc23)c(n1)C(N)=O
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10155765 (2018)


BindingDB Entry DOI: 10.7270/Q21V5H2J
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM311536
PNG
(5-{[(1R,2S)-2- aminocyclohexyl]amino}- N-{3-carbam...)
Show SMILES CN1CCCC(Cn2cc(NC(=O)c3cnn4ccc(N[C@@H]5CCCC[C@@H]5N)nc34)c(n2)C(N)=O)C1 |r|
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Merck Sharp & Dohme Corp.

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US Patent US10155765 (2018)


BindingDB Entry DOI: 10.7270/Q21V5H2J
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50095465
PNG
(CHEMBL3590438 | US10155765, Example 28)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(NCCN)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C14H17N9O2/c1-22-7-9(11(21-22)12(16)24)19-14(25)8-6-18-23-5-2-10(17-4-3-15)20-13(8)23/h2,5-7H,3-4,15H2,1H3,(H2,16,24)(H,17,20)(H,19,25)
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Merck Sharp & Dohme Corp.

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US Patent US10155765 (2018)


BindingDB Entry DOI: 10.7270/Q21V5H2J
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM311561
PNG
(2-[(2- aminoethyl)amino]-N- [3-carbamoyl-1-(2- hyd...)
Show SMILES NCCNc1ncc2ccc(C(=O)Nc3cn(CCO)nc3C(N)=O)n2n1
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Merck Sharp & Dohme Corp.

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US Patent US10155765 (2018)


BindingDB Entry DOI: 10.7270/Q21V5H2J
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM312055
PNG
(5-{[cis-2-Aminocyclohexyl]amino}-N-{3-carbamoyl-1-...)
Show SMILES CS(=O)(=O)N1CCC(CC1)n1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@H]4N)nc23)c(n1)C(N)=O |r|
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Merck Sharp & Dohme Corp.

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US Patent US10155765 (2018)


BindingDB Entry DOI: 10.7270/Q21V5H2J
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM312056
PNG
(5-{[cis-2-Aminocyclohexyl]amino}-N-[3-carbamoyl-1-...)
Show SMILES CN1CCC(CC1)n1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@H]4N)nc23)c(n1)C(N)=O |r|
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US Patent US10155765 (2018)


BindingDB Entry DOI: 10.7270/Q21V5H2J
More data for this
Ligand-Target Pair
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