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PubMed code 17502144

Compile data set for download or QSAR
Found 89 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))		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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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 100n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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 158n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM27489
PNG
(2-amino-3-{4-[(2-aminoethyl)sulfamoyl]phenyl}-5-ph...)
Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
Show InChI InChI=1S/C21H22N4O3S/c22-10-11-25-29(27,28)17-8-6-15(7-9-17)18-12-16(14-4-2-1-3-5-14)13-19(20(18)23)21(24)26/h1-9,12-13,25H,10-11,22-23H2,(H2,24,26)
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n/an/a 158n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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 200n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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 251n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM27492
PNG
(2-amino-5-phenyl-3-(4-{[2-(pyrrolidin-1-yl)ethyl]s...)
Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)NCCN1CCCC1)-c1ccccc1
Show InChI InChI=1S/C25H28N4O3S/c26-24-22(16-20(17-23(24)25(27)30)18-6-2-1-3-7-18)19-8-10-21(11-9-19)33(31,32)28-12-15-29-13-4-5-14-29/h1-3,6-11,16-17,28H,4-5,12-15,26H2,(H2,27,30)
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n/an/a 251n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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 251n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM27490
PNG
(2-amino-3-{4-[(3-methoxypropyl)sulfamoyl]phenyl}-5...)
Show SMILES COCCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
Show InChI InChI=1S/C23H25N3O4S/c1-30-13-5-12-26-31(28,29)19-10-8-17(9-11-19)20-14-18(16-6-3-2-4-7-16)15-21(22(20)24)23(25)27/h2-4,6-11,14-15,26H,5,12-13,24H2,1H3,(H2,25,27)
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n/an/a 251n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM27488
PNG
(2-amino-3-(4-{[3-(morpholin-4-yl)propyl]sulfamoyl}...)
Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)NCCCN1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C26H30N4O4S/c27-25-23(17-21(18-24(25)26(28)31)19-5-2-1-3-6-19)20-7-9-22(10-8-20)35(32,33)29-11-4-12-30-13-15-34-16-14-30/h1-3,5-10,17-18,29H,4,11-16,27H2,(H2,28,31)
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n/an/a 316n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM27487
PNG
(2-amino-3-(4-{[3-(dimethylamino)propyl]sulfamoyl}p...)
Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
Show InChI InChI=1S/C24H28N4O3S/c1-28(2)14-6-13-27-32(30,31)20-11-9-18(10-12-20)21-15-19(17-7-4-3-5-8-17)16-22(23(21)25)24(26)29/h3-5,7-12,15-16,27H,6,13-14,25H2,1-2H3,(H2,26,29)
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n/an/a 316n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM27491
PNG
(2-amino-3-[4-(cyclopropylsulfamoyl)phenyl]-5-pheny...)
Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C22H21N3O3S/c23-21-19(12-16(13-20(21)22(24)26)14-4-2-1-3-5-14)15-6-10-18(11-7-15)29(27,28)25-17-8-9-17/h1-7,10-13,17,25H,8-9,23H2,(H2,24,26)
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n/an/a 316n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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 398n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		BDBM27489
PNG
(2-amino-3-{4-[(2-aminoethyl)sulfamoyl]phenyl}-5-ph...)
Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
Show InChI InChI=1S/C21H22N4O3S/c22-10-11-25-29(27,28)17-8-6-15(7-9-17)18-12-16(14-4-2-1-3-5-14)13-19(20(18)23)21(24)26/h1-9,12-13,25H,10-11,22-23H2,(H2,24,26)
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n/an/a 631n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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 631n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		BDBM27490
PNG
(2-amino-3-{4-[(3-methoxypropyl)sulfamoyl]phenyl}-5...)
Show SMILES COCCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
Show InChI InChI=1S/C23H25N3O4S/c1-30-13-5-12-26-31(28,29)19-10-8-17(9-11-19)20-14-18(16-6-3-2-4-7-16)15-21(22(20)24)23(25)27/h2-4,6-11,14-15,26H,5,12-13,24H2,1H3,(H2,25,27)
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n/an/a 794n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		BDBM27492
PNG
(2-amino-5-phenyl-3-(4-{[2-(pyrrolidin-1-yl)ethyl]s...)
Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)NCCN1CCCC1)-c1ccccc1
Show InChI InChI=1S/C25H28N4O3S/c26-24-22(16-20(17-23(24)25(27)30)18-6-2-1-3-7-18)19-8-10-21(11-9-19)33(31,32)28-12-15-29-13-4-5-14-29/h1-3,6-11,16-17,28H,4-5,12-15,26H2,(H2,27,30)
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n/an/a 794n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		BDBM27491
PNG
(2-amino-3-[4-(cyclopropylsulfamoyl)phenyl]-5-pheny...)
Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C22H21N3O3S/c23-21-19(12-16(13-20(21)22(24)26)14-4-2-1-3-5-14)15-6-10-18(11-7-15)29(27,28)25-17-8-9-17/h1-7,10-13,17,25H,8-9,23H2,(H2,24,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		BDBM27488
PNG
(2-amino-3-(4-{[3-(morpholin-4-yl)propyl]sulfamoyl}...)
Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)NCCCN1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C26H30N4O4S/c27-25-23(17-21(18-24(25)26(28)31)19-5-2-1-3-6-19)20-7-9-22(10-8-20)35(32,33)29-11-4-12-30-13-15-34-16-14-30/h1-3,5-10,17-18,29H,4,11-16,27H2,(H2,28,31)
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n/an/a 1.00E+3n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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)
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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 1.00E+3n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		BDBM27487
PNG
(2-amino-3-(4-{[3-(dimethylamino)propyl]sulfamoyl}p...)
Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
Show InChI InChI=1S/C24H28N4O3S/c1-28(2)14-6-13-27-32(30,31)20-11-9-18(10-12-20)21-15-19(17-7-4-3-5-8-17)16-22(23(21)25)24(26)29/h3-5,7-12,15-16,27H,6,13-14,25H2,1-2H3,(H2,26,29)
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n/an/a 1.00E+3n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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 1.59E+3n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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 1.59E+3n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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 1.59E+3n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		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 1.59E+3n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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 1.59E+3n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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 3.98E+3n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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 3.98E+3n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		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 3.98E+3n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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 7.94E+3n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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 7.94E+3n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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 7.94E+3n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		BDBM27489
PNG
(2-amino-3-{4-[(2-aminoethyl)sulfamoyl]phenyl}-5-ph...)
Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
Show InChI InChI=1S/C21H22N4O3S/c22-10-11-25-29(27,28)17-8-6-15(7-9-17)18-12-16(14-4-2-1-3-5-14)13-19(20(18)23)21(24)26/h1-9,12-13,25H,10-11,22-23H2,(H2,24,26)
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n/an/a>1.58E+4n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		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>1.58E+4n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		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>1.58E+4n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		BDBM27490
PNG
(2-amino-3-{4-[(3-methoxypropyl)sulfamoyl]phenyl}-5...)
Show SMILES COCCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
Show InChI InChI=1S/C23H25N3O4S/c1-30-13-5-12-26-31(28,29)19-10-8-17(9-11-19)20-14-18(16-6-3-2-4-7-16)15-21(22(20)24)23(25)27/h2-4,6-11,14-15,26H,5,12-13,24H2,1H3,(H2,25,27)
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n/an/a>1.58E+4n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		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>1.58E+4n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		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/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		BDBM27492
PNG
(2-amino-5-phenyl-3-(4-{[2-(pyrrolidin-1-yl)ethyl]s...)
Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)NCCN1CCCC1)-c1ccccc1
Show InChI InChI=1S/C25H28N4O3S/c26-24-22(16-20(17-23(24)25(27)30)18-6-2-1-3-7-18)19-8-10-21(11-9-19)33(31,32)28-12-15-29-13-4-5-14-29/h1-3,6-11,16-17,28H,4-5,12-15,26H2,(H2,27,30)
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n/an/a>1.58E+4n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		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/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		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>1.58E+4n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		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>1.58E+4n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		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>1.58E+4n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		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>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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		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>1.58E+4n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		BDBM27488
PNG
(2-amino-3-(4-{[3-(morpholin-4-yl)propyl]sulfamoyl}...)
Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)NCCCN1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C26H30N4O4S/c27-25-23(17-21(18-24(25)26(28)31)19-5-2-1-3-6-19)20-7-9-22(10-8-20)35(32,33)29-11-4-12-30-13-15-34-16-14-30/h1-3,5-10,17-18,29H,4,11-16,27H2,(H2,28,31)
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n/an/a>1.58E+4n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		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>1.58E+4n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		BDBM27491
PNG
(2-amino-3-[4-(cyclopropylsulfamoyl)phenyl]-5-pheny...)
Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C22H21N3O3S/c23-21-19(12-16(13-20(21)22(24)26)14-4-2-1-3-5-14)15-6-10-18(11-7-15)29(27,28)25-17-8-9-17/h1-7,10-13,17,25H,8-9,23H2,(H2,24,26)
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n/an/a>1.58E+4n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		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/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		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>1.58E+4n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		BDBM27487
PNG
(2-amino-3-(4-{[3-(dimethylamino)propyl]sulfamoyl}p...)
Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
Show InChI InChI=1S/C24H28N4O3S/c1-28(2)14-6-13-27-32(30,31)20-11-9-18(10-12-20)21-15-19(17-7-4-3-5-8-17)16-22(23(21)25)24(26)29/h3-5,7-12,15-16,27H,6,13-14,25H2,1-2H3,(H2,26,29)
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n/an/a>1.58E+4n/an/an/an/an/an/a



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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		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>1.58E+4n/an/an/an/an/an/a



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
* indicates data uncertainty>20%