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Patent code US9981963

Compile Data Set for Download or QSAR
Found 29 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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396920
PNG
(US9981963, Compound 11)
Show SMILES CC(C)n1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O
Show InChI InChI=1S/C18H20N4O/c1-12(2)22-11-16(13-8-20-21-9-13)15-7-14(19-10-17(15)22)5-6-18(3,4)23/h7-12,23H,1-4H3,(H,20,21)
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n/an/a 6n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396919
PNG
(US9981963, Compound 10)
Show SMILES CCn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC1(O)CCCC1
Show InChI InChI=1S/C19H20N4O/c1-2-23-13-17(14-10-21-22-11-14)16-9-15(20-12-18(16)23)5-8-19(24)6-3-4-7-19/h9-13,24H,2-4,6-7H2,1H3,(H,21,22)
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n/an/a 9n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396918
PNG
(US9981963, Compound 9)
Show SMILES CCn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O
Show InChI InChI=1S/C17H18N4O/c1-4-21-11-15(12-8-19-20-9-12)14-7-13(18-10-16(14)21)5-6-17(2,3)22/h7-11,22H,4H2,1-3H3,(H,19,20)
PDB

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n/an/a 9n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396916
PNG
(US9981963, Compound 7)
Show SMILES CC(O)(C#Cc1cc2c(c[nH]c2cn1)-c1cn[nH]c1)c1nccs1
Show InChI InChI=1S/C17H11N5OS/c1-17(23,16-18-4-5-24-16)3-2-12-6-13-14(11-7-21-22-8-11)9-20-15(13)10-19-12/h4-10,23H,1H3
PDB

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n/an/a 9n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396936
PNG
(US9981963, Compound 31)
Show SMILES CCn1cc(-c2c[nH]nc2C#N)c2cc(ncc12)C#CC(C)(C)O
Show InChI InChI=1S/C18H17N5O/c1-4-23-11-15(14-9-21-22-16(14)8-19)13-7-12(20-10-17(13)23)5-6-18(2,3)24/h7,9-11,24H,4H2,1-3H3,(H,21,22)
PDB

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n/an/a 9n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396924
PNG
(US9981963, Compound 15)
Show SMILES CC(C)(O)Cn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(O)c1nccs1
Show InChI InChI=1/C21H21N5O2S/c1-20(2,27)13-26-12-17(14-9-24-25-10-14)16-8-15(23-11-18(16)26)4-5-21(3,28)19-22-6-7-29-19/h6-12,27-28H,13H2,1-3H3,(H,24,25)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396922
PNG
(US9981963, Compound 13)
Show SMILES OCCn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC1(O)CCCC1
Show InChI InChI=1S/C19H20N4O2/c24-8-7-23-13-17(14-10-21-22-11-14)16-9-15(20-12-18(16)23)3-6-19(25)4-1-2-5-19/h9-13,24-25H,1-2,4-5,7-8H2,(H,21,22)
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n/an/a 14n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396934
PNG
(US9981963, Compound 25)
Show SMILES CC(C)(O)C#Cc1cc2c(cn(c2cn1)S(C)(=O)=O)-c1cn[nH]c1
Show InChI InChI=1S/C16H16N4O3S/c1-16(2,21)5-4-12-6-13-14(11-7-18-19-8-11)10-20(24(3,22)23)15(13)9-17-12/h6-10,21H,1-3H3,(H,18,19)
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n/an/a 14n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396914
PNG
(US9981963, Compound 5)
Show SMILES CC(C)(O)C#Cc1cc2c(cn(CCCO)c2cn1)-c1cn[nH]c1
Show InChI InChI=1S/C18H20N4O2/c1-18(2,24)5-4-14-8-15-16(13-9-20-21-10-13)12-22(6-3-7-23)17(15)11-19-14/h8-12,23-24H,3,6-7H2,1-2H3,(H,20,21)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396923
PNG
(US9981963, Compound 14)
Show SMILES CC(C)(O)Cn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O
Show InChI InChI=1S/C19H22N4O2/c1-18(2,24)6-5-14-7-15-16(13-8-21-22-9-13)11-23(12-19(3,4)25)17(15)10-20-14/h7-11,24-25H,12H2,1-4H3,(H,21,22)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396915
PNG
(US9981963, Compound 6)
Show SMILES OC1(CCCC1)C#Cc1cc2c(c[nH]c2cn1)-c1cn[nH]c1
Show InChI InChI=1S/C17H14N4O/c22-17(4-1-2-5-17)6-3-13-7-14-15(12-8-20-21-9-12)10-19-16(14)11-18-13/h7-11,22H,1-2,4-5H2
PDB

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n/an/a 19n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396917
PNG
(US9981963, Compound 8)
Show SMILES Cn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC1(O)CCCC1
Show InChI InChI=1S/C18H18N4O/c1-22-12-16(13-9-20-21-10-13)15-8-14(19-11-17(15)22)4-7-18(23)5-2-3-6-18/h8-12,23H,2-3,5-6H2,1H3,(H,20,21)
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396913
PNG
(US9981963, Compound 4)
Show SMILES Cn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O
Show InChI InChI=1S/C16H16N4O/c1-16(2,21)5-4-12-6-13-14(11-7-18-19-8-11)10-20(3)15(13)9-17-12/h6-10,21H,1-3H3,(H,18,19)
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396935
PNG
(US9981963, Compound 30)
Show SMILES CCn1cc(-c2c[nH]nc2C)c2cc(ncc12)C#CC(C)(C)O
Show InChI InChI=1S/C18H20N4O/c1-5-22-11-16(15-9-20-21-12(15)2)14-8-13(19-10-17(14)22)6-7-18(3,4)23/h8-11,23H,5H2,1-4H3,(H,20,21)
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396929
PNG
(US9981963, Compound 20)
Show SMILES CC(C)(O)CCn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O
Show InChI InChI=1S/C20H24N4O2/c1-19(2,25)6-5-15-9-16-17(14-10-22-23-11-14)13-24(18(16)12-21-15)8-7-20(3,4)26/h9-13,25-26H,7-8H2,1-4H3,(H,22,23)
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396927
PNG
(US9981963, Compound 18)
Show SMILES COCCCn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O
Show InChI InChI=1S/C19H22N4O2/c1-19(2,24)6-5-15-9-16-17(14-10-21-22-11-14)13-23(7-4-8-25-3)18(16)12-20-15/h9-13,24H,4,7-8H2,1-3H3,(H,21,22)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396921
PNG
(US9981963, Compound 12)
Show SMILES CC(C)(O)C#Cc1cc2c(cn(CCO)c2cn1)-c1cn[nH]c1
Show InChI InChI=1S/C17H18N4O2/c1-17(2,23)4-3-13-7-14-15(12-8-19-20-9-12)11-21(5-6-22)16(14)10-18-13/h7-11,22-23H,5-6H2,1-2H3,(H,19,20)
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396933
PNG
(US9981963, Compound 24)
Show SMILES CCC(CC)n1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O
Show InChI InChI=1S/C20H24N4O/c1-5-16(6-2)24-13-18(14-10-22-23-11-14)17-9-15(21-12-19(17)24)7-8-20(3,4)25/h9-13,16,25H,5-6H2,1-4H3,(H,22,23)
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396930
PNG
(US9981963, Compound 21)
Show SMILES CC(C)Cn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O
Show InChI InChI=1S/C19H22N4O/c1-13(2)11-23-12-17(14-8-21-22-9-14)16-7-15(20-10-18(16)23)5-6-19(3,4)24/h7-10,12-13,24H,11H2,1-4H3,(H,21,22)
PDB

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n/an/a 55n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396932
PNG
(US9981963, Compound 23)
Show SMILES CCCC(C)n1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O
Show InChI InChI=1/C20H24N4O/c1-5-6-14(2)24-13-18(15-10-22-23-11-15)17-9-16(21-12-19(17)24)7-8-20(3,4)25/h9-14,25H,5-6H2,1-4H3,(H,22,23)
PDB

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n/an/a 57n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396912
PNG
(US9981963, Compound 3)
Show SMILES CCn1cc(-c2c[nH]nc2N)c2cc(ncc12)C#CC(C)(C)O
Show InChI InChI=1S/C17H19N5O/c1-4-22-10-14(13-8-20-21-16(13)18)12-7-11(19-9-15(12)22)5-6-17(2,3)23/h7-10,23H,4H2,1-3H3,(H3,18,20,21)
PDB

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n/an/a 58n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396910
PNG
(US9981963, Compound 1)
Show SMILES CC(C)(O)C#Cc1cc2c(c[nH]c2cn1)-c1cn[nH]c1
Show InChI InChI=1S/C15H12N4O/c1-15(2,20)4-3-11-5-12-13(10-6-18-19-7-10)8-17-14(12)9-16-11/h5-9,20H,1-2H3
PDB

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n/an/a 60n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396928
PNG
(US9981963, Compound 19)
Show SMILES CN1CCC(CC1)n1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O
Show InChI InChI=1S/C21H25N5O/c1-21(2,27)7-4-16-10-18-19(15-11-23-24-12-15)14-26(20(18)13-22-16)17-5-8-25(3)9-6-17/h10-14,17,27H,5-6,8-9H2,1-3H3,(H,23,24)
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n/an/a 65n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396937
PNG
(US9981963, Compound 32)
Show SMILES CC(C)(O)Cn1cc(-c2c[nH]nc2C#N)c2cc(ncc12)C#CC(C)(C)O
Show InChI InChI=1S/C20H21N5O2/c1-19(2,26)6-5-13-7-14-16(15-9-23-24-17(15)8-21)11-25(12-20(3,4)27)18(14)10-22-13/h7,9-11,26-27H,12H2,1-4H3,(H,23,24)
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n/an/a 68n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396938
PNG
(US9981963, Compound 34)
Show SMILES CN1CC(C1)n1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O
Show InChI InChI=1S/C19H21N5O/c1-19(2,25)5-4-14-6-16-17(13-7-21-22-8-13)12-24(18(16)9-20-14)15-10-23(3)11-15/h6-9,12,15,25H,10-11H2,1-3H3,(H,21,22)
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n/an/a 76n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396926
PNG
(US9981963, Compound 17)
Show SMILES CC(C)(O)C#Cc1cc2c(cn(CC3COC3)c2cn1)-c1cn[nH]c1
Show InChI InChI=1S/C19H20N4O2/c1-19(2,24)4-3-15-5-16-17(14-6-21-22-7-14)10-23(18(16)8-20-15)9-13-11-25-12-13/h5-8,10,13,24H,9,11-12H2,1-2H3,(H,21,22)
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n/an/a 88n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396925
PNG
(US9981963, Compound 16)
Show SMILES COCCn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O
Show InChI InChI=1S/C18H20N4O2/c1-18(2,23)5-4-14-8-15-16(13-9-20-21-10-13)12-22(6-7-24-3)17(15)11-19-14/h8-12,23H,6-7H2,1-3H3,(H,20,21)
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n/an/a 92n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396911
PNG
(US9981963, Compound 2)
Show SMILES CC(C)(O)C#Cc1cc2c(cn(CC3CCOC3)c2cn1)-c1cn[nH]c1
Show InChI InChI=1/C20H22N4O2/c1-20(2,25)5-3-16-7-17-18(15-8-22-23-9-15)12-24(19(17)10-21-16)11-14-4-6-26-13-14/h7-10,12,14,25H,4,6,11,13H2,1-2H3,(H,22,23)
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n/an/a 129n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM396931
PNG
(US9981963, Compound 22)
Show SMILES CC(C)(O)C#Cc1cc2c(cn(Cc3ccccc3)c2cn1)-c1cn[nH]c1
Show InChI InChI=1S/C22H20N4O/c1-22(2,27)9-8-18-10-19-20(17-11-24-25-12-17)15-26(21(19)13-23-18)14-16-6-4-3-5-7-16/h3-7,10-13,15,27H,14H2,1-2H3,(H,24,25)
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n/an/a 224n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...


US Patent US9981963 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%