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Compile Data Set for Download or QSAR

Found 89 hits of ph data with Target = 'I-kappa-B Kinase 1 (IKK-alpha)'   
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
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27452
PNG
(5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-[(2-me...)
Show SMILES COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(s3)C#N)c2cc1OC
Show InChI InChI=1S/C22H19N3O5S2/c1-28-17-8-15-16(9-18(17)29-2)25(13-24-15)22-10-19(20(11-23)31-22)30-12-14-6-4-5-7-21(14)32(3,26)27/h4-10,13H,12H2,1-3H3
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n/an/a>1.58E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 16: 6236-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.018
BindingDB Entry DOI: 10.7270/Q2VQ311M
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27460
PNG
(2-amino-5-(4-fluorophenyl)-3-(4-methanesulfonylphe...)
Show SMILES CNC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C21H19FN2O3S/c1-24-21(25)19-12-15(13-3-7-16(22)8-4-13)11-18(20(19)23)14-5-9-17(10-6-14)28(2,26)27/h3-12H,23H2,1-2H3,(H,24,25)
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n/an/a>1.58E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27461
PNG
(2-amino-5-(4-fluorophenyl)-N-methyl-3-[4-(pyrrolid...)
Show SMILES CNC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)N1CCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H24FN3O3S/c1-27-24(29)22-15-18(16-4-8-19(25)9-5-16)14-21(23(22)26)17-6-10-20(11-7-17)32(30,31)28-12-2-3-13-28/h4-11,14-15H,2-3,12-13,26H2,1H3,(H,27,29)
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n/an/a>1.58E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27462
PNG
(2-amino-5-phenylbenzamide | Amino-substituted benz...)
Show SMILES NC(=O)c1cc(ccc1N)-c1ccccc1
Show InChI InChI=1S/C13H12N2O/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h1-8H,14H2,(H2,15,16)
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n/an/a>1.58E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27463
PNG
(2-amino-5-(4-fluorophenyl)benzamide | Amino-substi...)
Show SMILES NC(=O)c1cc(ccc1N)-c1ccc(F)cc1
Show InChI InChI=1S/C13H11FN2O/c14-10-4-1-8(2-5-10)9-3-6-12(15)11(7-9)13(16)17/h1-7H,15H2,(H2,16,17)
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n/an/a>1.58E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27464
PNG
(2-amino-5-(4-fluorophenyl)-3-(pyridin-4-yl)benzami...)
Show SMILES NC(=O)c1cc(cc(c1N)-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H14FN3O/c19-14-3-1-11(2-4-14)13-9-15(12-5-7-22-8-6-12)17(20)16(10-13)18(21)23/h1-10H,20H2,(H2,21,23)
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n/an/a 5.01E+3n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27465
PNG
(2-amino-5-(4-fluorophenyl)-3-[4-(pyrrolidine-1-sul...)
Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)N1CCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H22FN3O3S/c24-18-7-3-15(4-8-18)17-13-20(22(25)21(14-17)23(26)28)16-5-9-19(10-6-16)31(29,30)27-11-1-2-12-27/h3-10,13-14H,1-2,11-12,25H2,(H2,26,28)
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n/an/a 2.51E+3n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27466
PNG
(2-amino-5-(4-fluorophenyl)-3-(4-sulfamoylphenyl)be...)
Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C19H16FN3O3S/c20-14-5-1-11(2-6-14)13-9-16(18(21)17(10-13)19(22)24)12-3-7-15(8-4-12)27(23,25)26/h1-10H,21H2,(H2,22,24)(H2,23,25,26)
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n/an/a 501n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27467
PNG
(2-amino-5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)be...)
Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H16ClN3O3S/c20-14-5-1-11(2-6-14)13-9-16(18(21)17(10-13)19(22)24)12-3-7-15(8-4-12)27(23,25)26/h1-10H,21H2,(H2,22,24)(H2,23,25,26)
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n/an/a 398n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27468
PNG
(2-amino-5-(4-chlorophenyl)-3-(4-methanesulfonamido...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H18ClN3O3S/c1-28(26,27)24-16-8-4-13(5-9-16)17-10-14(11-18(19(17)22)20(23)25)12-2-6-15(21)7-3-12/h2-11,24H,22H2,1H3,(H2,23,25)
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n/an/a 6.31E+3n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27469
PNG
(2-amino-3-(4-methanesulfonamidophenyl)-5-phenylben...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
Show InChI InChI=1S/C20H19N3O3S/c1-27(25,26)23-16-9-7-14(8-10-16)17-11-15(13-5-3-2-4-6-13)12-18(19(17)21)20(22)24/h2-12,23H,21H2,1H3,(H2,22,24)
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n/an/a 1.26E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27470
PNG
(2-amino-3-(3-methanesulfonamidophenyl)-5-phenylben...)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
Show InChI InChI=1S/C20H19N3O3S/c1-27(25,26)23-16-9-5-8-14(10-16)17-11-15(13-6-3-2-4-7-13)12-18(19(17)21)20(22)24/h2-12,23H,21H2,1H3,(H2,22,24)
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n/an/a 1.00E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27471
PNG
(2-amino-5-phenyl-3-(4-sulfamoylphenyl)benzamide | ...)
Show SMILES NC(=O)c1cc(cc(-c2ccc(cc2)S(N)(=O)=O)c1N)-c1ccccc1
Show InChI InChI=1S/C19H17N3O3S/c20-18-16(13-6-8-15(9-7-13)26(22,24)25)10-14(11-17(18)19(21)23)12-4-2-1-3-5-12/h1-11H,20H2,(H2,21,23)(H2,22,24,25)
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n/an/a 1.00E+3n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27472
PNG
(2-amino-5-phenyl-3-(3-sulfamoylphenyl)benzamide | ...)
Show SMILES NC(=O)c1cc(cc(-c2cccc(c2)S(N)(=O)=O)c1N)-c1ccccc1
Show InChI InChI=1S/C19H17N3O3S/c20-18-16(13-7-4-8-15(9-13)26(22,24)25)10-14(11-17(18)19(21)23)12-5-2-1-3-6-12/h1-11H,20H2,(H2,21,23)(H2,22,24,25)
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n/an/a>1.58E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27473
PNG
(2-amino-5-phenyl-3-[4-(sulfamoylmethyl)phenyl]benz...)
Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(CS(N)(=O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C20H19N3O3S/c21-19-17(15-8-6-13(7-9-15)12-27(23,25)26)10-16(11-18(19)20(22)24)14-4-2-1-3-5-14/h1-11H,12,21H2,(H2,22,24)(H2,23,25,26)
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n/an/a 7.94E+3n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27474
PNG
(2-amino-3-[3-(dimethylamino)phenyl]-5-phenylbenzam...)
Show SMILES CN(C)c1cccc(c1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
Show InChI InChI=1S/C21H21N3O/c1-24(2)17-10-6-9-15(11-17)18-12-16(14-7-4-3-5-8-14)13-19(20(18)22)21(23)25/h3-13H,22H2,1-2H3,(H2,23,25)
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n/an/a>1.58E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27475
PNG
(2-amino-3-phenyl-5-(pyridin-4-yl)benzamide | Amino...)
Show SMILES NC(=O)c1cc(cc(-c2ccccc2)c1N)-c1ccncc1
Show InChI InChI=1S/C18H15N3O/c19-17-15(13-4-2-1-3-5-13)10-14(11-16(17)18(20)22)12-6-8-21-9-7-12/h1-11H,19H2,(H2,20,22)
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n/an/a 3.16E+3n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27476
PNG
(2-amino-5-(pyridin-4-yl)-3-(4-sulfamoylphenyl)benz...)
Show SMILES NC(=O)c1cc(cc(-c2ccc(cc2)S(N)(=O)=O)c1N)-c1ccncc1
Show InChI InChI=1S/C18H16N4O3S/c19-17-15(12-1-3-14(4-2-12)26(21,24)25)9-13(10-16(17)18(20)23)11-5-7-22-8-6-11/h1-10H,19H2,(H2,20,23)(H2,21,24,25)
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n/an/a 79n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27477
PNG
(2-amino-5-(4-methanesulfonylphenyl)-3-(4-sulfamoyl...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(N)=O)c(N)c(c1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H19N3O5S2/c1-29(25,26)15-6-2-12(3-7-15)14-10-17(19(21)18(11-14)20(22)24)13-4-8-16(9-5-13)30(23,27)28/h2-11H,21H2,1H3,(H2,22,24)(H2,23,27,28)
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n/an/a 2.00E+3n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27478
PNG
(2-amino-5-(4-methanesulfonylphenyl)-3-[4-(pyrrolid...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(N)=O)c(N)c(c1)-c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C24H25N3O5S2/c1-33(29,30)19-8-4-16(5-9-19)18-14-21(23(25)22(15-18)24(26)28)17-6-10-20(11-7-17)34(31,32)27-12-2-3-13-27/h4-11,14-15H,2-3,12-13,25H2,1H3,(H2,26,28)
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n/an/a 5.01E+3n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27479
PNG
(2-methoxy-5-(pyridin-4-yl)benzamide | O-substitute...)
Show SMILES COc1ccc(cc1C(N)=O)-c1ccncc1
Show InChI InChI=1S/C13H12N2O2/c1-17-12-3-2-10(8-11(12)13(14)16)9-4-6-15-7-5-9/h2-8H,1H3,(H2,14,16)
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n/an/a>1.58E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27480
PNG
(2-methoxy-5-phenyl-3-(pyridin-4-yl)benzamide | O-s...)
Show SMILES COc1c(cc(cc1-c1ccncc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C19H16N2O2/c1-23-18-16(14-7-9-21-10-8-14)11-15(12-17(18)19(20)22)13-5-3-2-4-6-13/h2-12H,1H3,(H2,20,22)
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n/an/a>1.58E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27481
PNG
(5-(4-chlorophenyl)-2-methoxy-3-(4-sulfamoylphenyl)...)
Show SMILES COc1c(cc(cc1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C20H17ClN2O4S/c1-27-19-17(13-4-8-16(9-5-13)28(23,25)26)10-14(11-18(19)20(22)24)12-2-6-15(21)7-3-12/h2-11H,1H3,(H2,22,24)(H2,23,25,26)
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n/an/a>1.58E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27482
PNG
(2-methoxy-3-phenyl-5-(pyridin-4-yl)benzamide | O-s...)
Show SMILES COc1c(cc(cc1-c1ccccc1)-c1ccncc1)C(N)=O
Show InChI InChI=1S/C19H16N2O2/c1-23-18-16(14-5-3-2-4-6-14)11-15(12-17(18)19(20)22)13-7-9-21-10-8-13/h2-12H,1H3,(H2,20,22)
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n/an/a>1.58E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27483
PNG
(2-hydroxy-5-(pyridin-4-yl)benzamide | O-substitute...)
Show SMILES NC(=O)c1cc(ccc1O)-c1ccncc1
Show InChI InChI=1S/C12H10N2O2/c13-12(16)10-7-9(1-2-11(10)15)8-3-5-14-6-4-8/h1-7,15H,(H2,13,16)
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n/an/a 1.58E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27484
PNG
(5-(4-chlorophenyl)-2-hydroxy-3-(4-sulfamoylphenyl)...)
Show SMILES NC(=O)c1cc(cc(c1O)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN2O4S/c20-14-5-1-11(2-6-14)13-9-16(18(23)17(10-13)19(21)24)12-3-7-15(8-4-12)27(22,25)26/h1-10,23H,(H2,21,24)(H2,22,25,26)
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n/an/a 2.00E+3n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27485
PNG
(2-hydroxy-3-(4-methanesulfonamidophenyl)-5-phenylb...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(cc(C(N)=O)c1O)-c1ccccc1
Show InChI InChI=1S/C20H18N2O4S/c1-27(25,26)22-16-9-7-14(8-10-16)17-11-15(13-5-3-2-4-6-13)12-18(19(17)23)20(21)24/h2-12,22-23H,1H3,(H2,21,24)
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n/an/a 2.00E+3n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM27486
PNG
(3-[4-(dimethylsulfamoyl)phenyl]-2-hydroxy-5-(pyrid...)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1O)-c1ccncc1
Show InChI InChI=1S/C20H19N3O4S/c1-23(2)28(26,27)16-5-3-14(4-6-16)17-11-15(13-7-9-22-10-8-13)12-18(19(17)24)20(21)25/h3-12,24H,1-2H3,(H2,21,25)
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n/an/a 5.01E+3n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM29406
PNG
(7-alkoxyisoquinoline, 16)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1cc2ccncc2cc1OC1CCNCC1
Show InChI InChI=1S/C20H21N3O3S/c21-27(24,25)18-3-1-2-15(10-18)19-11-14-4-7-23-13-16(14)12-20(19)26-17-5-8-22-9-6-17/h1-4,7,10-13,17,22H,5-6,8-9H2,(H2,21,24,25)
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n/an/a 7.94E+3n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


J Med Chem 52: 3098-102 (2009)


Article DOI: 10.1021/jm9000117
BindingDB Entry DOI: 10.7270/Q27H1GX7
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM29407
PNG
(7-alkoxyisoquinoline, 17)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OC1CCNCC1
Show InChI InChI=1S/C20H21N3O3S/c21-27(24,25)18-3-1-14(2-4-18)19-11-15-5-8-23-13-16(15)12-20(19)26-17-6-9-22-10-7-17/h1-5,8,11-13,17,22H,6-7,9-10H2,(H2,21,24,25)
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n/an/a 7.94E+3n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


J Med Chem 52: 3098-102 (2009)


Article DOI: 10.1021/jm9000117
BindingDB Entry DOI: 10.7270/Q27H1GX7
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM29408
PNG
(7-alkoxyisoquinoline, 18)
Show SMILES NS(=O)(=O)Cc1ccc(cc1)-c1cc2ccncc2cc1OC1CCNCC1
Show InChI InChI=1S/C21H23N3O3S/c22-28(25,26)14-15-1-3-16(4-2-15)20-11-17-5-8-24-13-18(17)12-21(20)27-19-6-9-23-10-7-19/h1-5,8,11-13,19,23H,6-7,9-10,14H2,(H2,22,25,26)
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n/an/a 3.98E+3n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


J Med Chem 52: 3098-102 (2009)


Article DOI: 10.1021/jm9000117
BindingDB Entry DOI: 10.7270/Q27H1GX7
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM29409
PNG
(7-alkoxyisoquinoline, 19)
Show SMILES NCc1cccc(c1)-c1cc2ccncc2cc1OC1CCNCC1
Show InChI InChI=1S/C21H23N3O/c22-13-15-2-1-3-17(10-15)20-11-16-4-7-24-14-18(16)12-21(20)25-19-5-8-23-9-6-19/h1-4,7,10-12,14,19,23H,5-6,8-9,13,22H2
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n/an/a 1.26E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


J Med Chem 52: 3098-102 (2009)


Article DOI: 10.1021/jm9000117
BindingDB Entry DOI: 10.7270/Q27H1GX7
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM29410
PNG
(7-alkoxyisoquinoline, 20)
Show SMILES NCc1ccc(cc1)-c1cc2ccncc2cc1OC1CCNCC1
Show InChI InChI=1S/C21H23N3O/c22-13-15-1-3-16(4-2-15)20-11-17-5-8-24-14-18(17)12-21(20)25-19-6-9-23-10-7-19/h1-5,8,11-12,14,19,23H,6-7,9-10,13,22H2
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n/an/a 6.31E+3n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


J Med Chem 52: 3098-102 (2009)


Article DOI: 10.1021/jm9000117
BindingDB Entry DOI: 10.7270/Q27H1GX7
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM29411
PNG
(7-alkoxyisoquinoline, 21)
Show SMILES C1CC(CCN1)Oc1cc2cnccc2cc1-c1ccccc1
Show InChI InChI=1S/C20H20N2O/c1-2-4-15(5-3-1)19-12-16-6-9-22-14-17(16)13-20(19)23-18-7-10-21-11-8-18/h1-6,9,12-14,18,21H,7-8,10-11H2
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n/an/a 2.51E+3n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


J Med Chem 52: 3098-102 (2009)


Article DOI: 10.1021/jm9000117
BindingDB Entry DOI: 10.7270/Q27H1GX7
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM29412
PNG
(7-alkoxyisoquinoline, 22)
Show SMILES Brc1cc2ccncc2cc1OC1CCNCC1
Show InChI InChI=1S/C14H15BrN2O/c15-13-7-10-1-4-17-9-11(10)8-14(13)18-12-2-5-16-6-3-12/h1,4,7-9,12,16H,2-3,5-6H2
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n/an/a 1.00E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


J Med Chem 52: 3098-102 (2009)


Article DOI: 10.1021/jm9000117
BindingDB Entry DOI: 10.7270/Q27H1GX7
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM29413
PNG
(7-alkoxyisoquinoline, 23)
Show SMILES CCS(=O)(=O)N1CCC(CC1)Oc1cc2cnccc2cc1Br
Show InChI InChI=1S/C16H19BrN2O3S/c1-2-23(20,21)19-7-4-14(5-8-19)22-16-10-13-11-18-6-3-12(13)9-15(16)17/h3,6,9-11,14H,2,4-5,7-8H2,1H3
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n/an/a>2.51E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


J Med Chem 52: 3098-102 (2009)


Article DOI: 10.1021/jm9000117
BindingDB Entry DOI: 10.7270/Q27H1GX7
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM29414
PNG
(7-alkoxyisoquinoline, 24)
Show SMILES CC(=O)N1CCC(CC1)Oc1cc2cnccc2cc1Br
Show InChI InChI=1S/C16H17BrN2O2/c1-11(20)19-6-3-14(4-7-19)21-16-9-13-10-18-5-2-12(13)8-15(16)17/h2,5,8-10,14H,3-4,6-7H2,1H3
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n/an/a>2.51E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


J Med Chem 52: 3098-102 (2009)


Article DOI: 10.1021/jm9000117
BindingDB Entry DOI: 10.7270/Q27H1GX7
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM29415
PNG
(7-alkoxyisoquinoline, 25)
Show SMILES CC(=O)N1CCC(CC1)Oc1cc2cnccc2cc1-c1ccccc1
Show InChI InChI=1S/C22H22N2O2/c1-16(25)24-11-8-20(9-12-24)26-22-14-19-15-23-10-7-18(19)13-21(22)17-5-3-2-4-6-17/h2-7,10,13-15,20H,8-9,11-12H2,1H3
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n/an/a 1.58E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


J Med Chem 52: 3098-102 (2009)


Article DOI: 10.1021/jm9000117
BindingDB Entry DOI: 10.7270/Q27H1GX7
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM29416
PNG
(7-alkoxyisoquinoline, 26)
Show SMILES CC(=O)N1CCC(CC1)Oc1cc2cnccc2cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H23N3O4S/c1-15(26)25-10-7-19(8-11-25)29-22-13-18-14-24-9-6-17(18)12-21(22)16-2-4-20(5-3-16)30(23,27)28/h2-6,9,12-14,19H,7-8,10-11H2,1H3,(H2,23,27,28)
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n/an/a>2.51E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


J Med Chem 52: 3098-102 (2009)


Article DOI: 10.1021/jm9000117
BindingDB Entry DOI: 10.7270/Q27H1GX7
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM29417
PNG
(7-alkoxyisoquinoline, 27)
Show SMILES CCS(=O)(=O)N1CCC(CC1)Oc1cc2cnccc2cc1-c1ccccc1
Show InChI InChI=1S/C22H24N2O3S/c1-2-28(25,26)24-12-9-20(10-13-24)27-22-15-19-16-23-11-8-18(19)14-21(22)17-6-4-3-5-7-17/h3-8,11,14-16,20H,2,9-10,12-13H2,1H3
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n/an/a 1.26E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


J Med Chem 52: 3098-102 (2009)


Article DOI: 10.1021/jm9000117
BindingDB Entry DOI: 10.7270/Q27H1GX7
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM29418
PNG
(7-alkoxyisoquinoline, 28)
Show SMILES CCS(=O)(=O)N1CCC(CC1)Oc1cc2cnccc2cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H25N3O5S2/c1-2-31(26,27)25-11-8-19(9-12-25)30-22-14-18-15-24-10-7-17(18)13-21(22)16-3-5-20(6-4-16)32(23,28)29/h3-7,10,13-15,19H,2,8-9,11-12H2,1H3,(H2,23,28,29)
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n/an/a 2.51E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


J Med Chem 52: 3098-102 (2009)


Article DOI: 10.1021/jm9000117
BindingDB Entry DOI: 10.7270/Q27H1GX7
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM29419
PNG
(7-alkoxyisoquinoline, 29)
Show SMILES C1CC(CCN1)Oc1ccc2ccncc2c1
Show InChI InChI=1S/C14H16N2O/c1-2-14(17-13-4-7-15-8-5-13)9-12-10-16-6-3-11(1)12/h1-3,6,9-10,13,15H,4-5,7-8H2
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n/an/a>2.51E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


J Med Chem 52: 3098-102 (2009)


Article DOI: 10.1021/jm9000117
BindingDB Entry DOI: 10.7270/Q27H1GX7
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM29420
PNG
(7-alkoxyisoquinoline, 30)
Show SMILES C1CNCC(C1)Oc1cc2cnccc2cc1-c1ccccc1
Show InChI InChI=1S/C20H20N2O/c1-2-5-15(6-3-1)19-11-16-8-10-22-13-17(16)12-20(19)23-18-7-4-9-21-14-18/h1-3,5-6,8,10-13,18,21H,4,7,9,14H2
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n/an/a 3.98E+3n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


J Med Chem 52: 3098-102 (2009)


Article DOI: 10.1021/jm9000117
BindingDB Entry DOI: 10.7270/Q27H1GX7
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM29421
PNG
(7-alkoxyisoquinoline, 31)
Show SMILES C(Oc1cc2cnccc2cc1-c1ccccc1)C1CCCNC1
Show InChI InChI=1S/C21H22N2O/c1-2-6-17(7-3-1)20-11-18-8-10-23-14-19(18)12-21(20)24-15-16-5-4-9-22-13-16/h1-3,6-8,10-12,14,16,22H,4-5,9,13,15H2
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n/an/a 3.16E+3n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


J Med Chem 52: 3098-102 (2009)


Article DOI: 10.1021/jm9000117
BindingDB Entry DOI: 10.7270/Q27H1GX7
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM29422
PNG
(7-alkoxyisoquinoline, 32)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OC1CCCNC1
Show InChI InChI=1S/C20H21N3O3S/c21-27(24,25)18-5-3-14(4-6-18)19-10-15-7-9-23-12-16(15)11-20(19)26-17-2-1-8-22-13-17/h3-7,9-12,17,22H,1-2,8,13H2,(H2,21,24,25)
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n/an/a 1.26E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


J Med Chem 52: 3098-102 (2009)


Article DOI: 10.1021/jm9000117
BindingDB Entry DOI: 10.7270/Q27H1GX7
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM29423
PNG
(7-alkoxyisoquinoline, 33)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OCC1CCCNC1
Show InChI InChI=1S/C21H23N3O3S/c22-28(25,26)19-5-3-16(4-6-19)20-10-17-7-9-24-13-18(17)11-21(20)27-14-15-2-1-8-23-12-15/h3-7,9-11,13,15,23H,1-2,8,12,14H2,(H2,22,25,26)
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n/an/a 5.01E+3n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


J Med Chem 52: 3098-102 (2009)


Article DOI: 10.1021/jm9000117
BindingDB Entry DOI: 10.7270/Q27H1GX7
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM29424
PNG
(7-alkoxyisoquinoline, 34)
Show SMILES C(Oc1cc2cnccc2cc1-c1ccccc1)C1CCNCC1
Show InChI InChI=1S/C21H22N2O/c1-2-4-17(5-3-1)20-12-18-8-11-23-14-19(18)13-21(20)24-15-16-6-9-22-10-7-16/h1-5,8,11-14,16,22H,6-7,9-10,15H2
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n/an/a 1.00E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


J Med Chem 52: 3098-102 (2009)


Article DOI: 10.1021/jm9000117
BindingDB Entry DOI: 10.7270/Q27H1GX7
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM29425
PNG
(7-alkoxyisoquinoline, 35)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OCC1CCNCC1
Show InChI InChI=1S/C21H23N3O3S/c22-28(25,26)19-3-1-16(2-4-19)20-11-17-7-10-24-13-18(17)12-21(20)27-14-15-5-8-23-9-6-15/h1-4,7,10-13,15,23H,5-6,8-9,14H2,(H2,22,25,26)
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n/an/a 1.58E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


J Med Chem 52: 3098-102 (2009)


Article DOI: 10.1021/jm9000117
BindingDB Entry DOI: 10.7270/Q27H1GX7
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM29426
PNG
(7-alkoxyisoquinoline, 36)
Show SMILES CN(C)CCCS(=O)(=O)N1CCC(COc2cc3cnccc3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C26H33N3O3S/c1-28(2)13-6-16-33(30,31)29-14-10-21(11-15-29)20-32-26-18-24-19-27-12-9-23(24)17-25(26)22-7-4-3-5-8-22/h3-5,7-9,12,17-19,21H,6,10-11,13-16,20H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


J Med Chem 52: 3098-102 (2009)


Article DOI: 10.1021/jm9000117
BindingDB Entry DOI: 10.7270/Q27H1GX7
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens)
BDBM29427
PNG
(7-alkoxyisoquinoline, 37)
Show SMILES CCS(=O)(=O)N1CCC(COc2cc3cnccc3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C23H26N2O3S/c1-2-29(26,27)25-12-9-18(10-13-25)17-28-23-15-21-16-24-11-8-20(21)14-22(23)19-6-4-3-5-7-19/h3-8,11,14-16,18H,2,9-10,12-13,17H2,1H3
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n/an/a 2.00E+4n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


J Med Chem 52: 3098-102 (2009)


Article DOI: 10.1021/jm9000117
BindingDB Entry DOI: 10.7270/Q27H1GX7
More data for this
Ligand-Target Pair
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