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Compile Data Set for Download or QSAR

Found 64 hits of ph data with Target = 'Inhibitor of NF-kappa-B kinase (IKK)'   
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 NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM27444
PNG
(5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-[(4-me...)
Show SMILES COc1cc2ncn(-c3cc(OCc4ccc(cc4)S(C)(=O)=O)c(s3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C22H21N3O6S2/c1-29-17-8-15-16(9-18(17)30-2)25(12-24-15)20-10-19(21(32-20)22(23)26)31-11-13-4-6-14(7-5-13)33(3,27)28/h4-10,12H,11H2,1-3H3,(H2,23,26)
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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 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
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM27445
PNG
(5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-[(4-me...)
Show SMILES COc1cc2ncn(-c3cc(OCc4ccc(cc4)S(C)(=O)=O)c(s3)C#N)c2cc1OC
Show InChI InChI=1S/C22H19N3O5S2/c1-28-18-8-16-17(9-19(18)29-2)25(13-24-16)22-10-20(21(11-23)31-22)30-12-14-4-6-15(7-5-14)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
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM27446
PNG
(5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-(oxola...)
Show SMILES COc1cc2ncn(-c3cc(OCC4CCCO4)c(s3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C19H21N3O5S/c1-24-14-6-12-13(7-15(14)25-2)22(10-21-12)17-8-16(18(28-17)19(20)23)27-9-11-4-3-5-26-11/h6-8,10-11H,3-5,9H2,1-2H3,(H2,20,23)
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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 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
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM27447
PNG
(5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-(oxola...)
Show SMILES COc1cc2ncn(-c3cc(OCC4CCCO4)c(s3)C#N)c2cc1OC
Show InChI InChI=1S/C19H19N3O4S/c1-23-15-6-13-14(7-16(15)24-2)22(11-21-13)19-8-17(18(9-20)27-19)26-10-12-4-3-5-25-12/h6-8,11-12H,3-5,10H2,1-2H3
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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
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
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
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28569
PNG
(N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNS(C)(=O)=O)c1
Show InChI InChI=1S/C17H18N6O2S2/c1-18-15-12-14(23(2)9-19-12)13-17(22-15)26-16(21-13)11-6-4-5-10(7-11)8-20-27(3,24)25/h4-7,9,20H,8H2,1-3H3,(H,18,22)
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n/an/a 5n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28570
PNG
(N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNC(=O)c2ccno2)c1
Show InChI InChI=1S/C20H17N7O2S/c1-21-17-14-16(27(2)10-23-14)15-20(26-17)30-19(25-15)12-5-3-4-11(8-12)9-22-18(28)13-6-7-24-29-13/h3-8,10H,9H2,1-2H3,(H,21,26)(H,22,28)
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n/an/a 25n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28568
PNG
(N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNC(C)=O)c1
Show InChI InChI=1S/C18H18N6OS/c1-10(25)20-8-11-5-4-6-12(7-11)17-22-14-15-13(21-9-24(15)3)16(19-2)23-18(14)26-17/h4-7,9H,8H2,1-3H3,(H,19,23)(H,20,25)
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n/an/a 22n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28571
PNG
(N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNC(=O)c2csnn2)c1
Show InChI InChI=1S/C19H16N8OS2/c1-20-16-13-15(27(2)9-22-13)14-19(24-16)30-18(23-14)11-5-3-4-10(6-11)7-21-17(28)12-8-29-26-25-12/h3-6,8-9H,7H2,1-2H3,(H,20,24)(H,21,28)
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n/an/a 16n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28567
PNG
(N-({2-fluoro-5-[12-methyl-8-(methylamino)-5-thia-3...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)c(CNS(C)(=O)=O)c1
Show InChI InChI=1S/C17H17FN6O2S2/c1-19-15-12-14(24(2)8-20-12)13-17(23-15)27-16(22-13)9-4-5-11(18)10(6-9)7-21-28(3,25)26/h4-6,8,21H,7H2,1-3H3,(H,19,23)
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n/an/a 32n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28566
PNG
(N-({2-fluoro-5-[12-methyl-8-(methylamino)-5-thia-3...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)c(CNC(C)=O)c1
Show InChI InChI=1S/C18H17FN6OS/c1-9(26)21-7-11-6-10(4-5-12(11)19)17-23-14-15-13(22-8-25(15)3)16(20-2)24-18(14)27-17/h4-6,8H,7H2,1-3H3,(H,20,24)(H,21,26)
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n/an/a 53n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28565
PNG
(4-(4-fluorophenyl)-12-methyl-N-[2-(piperidin-1-yl)...)
Show SMILES Cn1cnc2c(NCCN3CCCCC3)nc3sc(nc3c12)-c1ccc(F)cc1
Show InChI InChI=1S/C21H23FN6S/c1-27-13-24-16-18(27)17-21(29-20(25-17)14-5-7-15(22)8-6-14)26-19(16)23-9-12-28-10-3-2-4-11-28/h5-8,13H,2-4,9-12H2,1H3,(H,23,26)
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n/an/a 56n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28564
PNG
(2-[(2-{[4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10...)
Show SMILES Cn1cnc2c(NCCNCCO)nc3sc(nc3c12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN6OS/c1-25-10-22-13-15(25)14-18(24-16(13)21-7-6-20-8-9-26)27-17(23-14)11-2-4-12(19)5-3-11/h2-5,10,20,26H,6-9H2,1H3,(H,21,24)
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n/an/a 75n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28563
PNG
(N-(2-{[4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10,...)
Show SMILES CC(=O)NCCNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN6OS/c1-10(26)20-7-8-21-16-13-15(25(2)9-22-13)14-18(24-16)27-17(23-14)11-3-5-12(19)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,20,26)(H,21,24)
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n/an/a 33n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28562
PNG
(4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetr...)
Show SMILES Cn1cnc2c(N)nc3sc(nc3c12)-c1ccc(F)cc1
Show InChI InChI=1S/C14H10FN5S/c1-20-6-17-9-11(20)10-14(19-12(9)16)21-13(18-10)7-2-4-8(15)5-3-7/h2-6H,1H3,(H2,16,19)
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n/an/a 180n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28561
PNG
(N-ethyl-4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10...)
Show SMILES CCNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)cc1
Show InChI InChI=1S/C16H14FN5S/c1-3-18-14-11-13(22(2)8-19-11)12-16(21-14)23-15(20-12)9-4-6-10(17)7-5-9/h4-8H,3H2,1-2H3,(H,18,21)
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n/an/a 39n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28560
PNG
(4-(4-fluorophenyl)-N,12-dimethyl-5-thia-3,7,10,12-...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)cc1
Show InChI InChI=1S/C15H12FN5S/c1-17-13-10-12(21(2)7-18-10)11-15(20-13)22-14(19-11)8-3-5-9(16)6-4-8/h3-7H,1-2H3,(H,17,20)
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n/an/a 26n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28559
PNG
(12-methyl-8-(methylamino)-N-(thiophen-2-ylmethyl)-...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)C(=O)NCc1cccs1
Show InChI InChI=1S/C15H14N6OS2/c1-16-12-9-11(21(2)7-18-9)10-14(20-12)24-15(19-10)13(22)17-6-8-4-3-5-23-8/h3-5,7H,6H2,1-2H3,(H,16,20)(H,17,22)
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n/an/a 15n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28558
PNG
(N,N-diethyl-12-methyl-8-(methylamino)-5-thia-3,7,1...)
Show SMILES CCN(CC)C(=O)c1nc2c(nc(NC)c3ncn(C)c23)s1
Show InChI InChI=1S/C14H18N6OS/c1-5-20(6-2)14(21)13-17-9-10-8(16-7-19(10)4)11(15-3)18-12(9)22-13/h7H,5-6H2,1-4H3,(H,15,18)
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n/an/a 2.50E+3n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28557
PNG
(N-cyclopentyl-12-methyl-8-(methylamino)-5-thia-3,7...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)C(=O)NC1CCCC1
Show InChI InChI=1S/C15H18N6OS/c1-16-12-9-11(21(2)7-17-9)10-14(20-12)23-15(19-10)13(22)18-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H,16,20)(H,18,22)
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n/an/a 160n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28556
PNG
(N-ethyl-12-methyl-8-(methylamino)-5-thia-3,7,10,12...)
Show SMILES CCNC(=O)c1nc2c(nc(NC)c3ncn(C)c23)s1
Show InChI InChI=1S/C12H14N6OS/c1-4-14-10(19)12-16-7-8-6(15-5-18(8)3)9(13-2)17-11(7)20-12/h5H,4H2,1-3H3,(H,13,17)(H,14,19)
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n/an/a 15n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28555
PNG
(N,12-dimethyl-8-(methylamino)-5-thia-3,7,10,12-tet...)
Show SMILES CNC(=O)c1nc2c(nc(NC)c3ncn(C)c23)s1
Show InChI InChI=1S/C11H12N6OS/c1-12-8-5-7(17(3)4-14-5)6-10(16-8)19-11(15-6)9(18)13-2/h4H,1-3H3,(H,12,16)(H,13,18)
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n/an/a 15n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28554
PNG
(4-(azepan-1-yl)-N,12-dimethyl-5-thia-3,7,10,12-tet...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)N1CCCCCC1
Show InChI InChI=1S/C15H20N6S/c1-16-13-10-12(20(2)9-17-10)11-14(19-13)22-15(18-11)21-7-5-3-4-6-8-21/h9H,3-8H2,1-2H3,(H,16,19)
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n/an/a 130n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28553
PNG
(N,12-dimethyl-4-(piperidin-1-yl)-5-thia-3,7,10,12-...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)N1CCCCC1
Show InChI InChI=1S/C14H18N6S/c1-15-12-9-11(19(2)8-16-9)10-13(18-12)21-14(17-10)20-6-4-3-5-7-20/h8H,3-7H2,1-2H3,(H,15,18)
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n/an/a 210n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28552
PNG
(N,12-dimethyl-4-(1,2,3,6-tetrahydropyridin-1-yl)-5...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)N1CCC=CC1
Show InChI InChI=1S/C14H16N6S/c1-15-12-9-11(19(2)8-16-9)10-13(18-12)21-14(17-10)20-6-4-3-5-7-20/h3-4,8H,5-7H2,1-2H3,(H,15,18)
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n/an/a 33n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28551
PNG
(2-{[12-methyl-8-(methylamino)-5-thia-3,7,10,12-tet...)
Show SMILES CNc1nc2sc(NCCO)nc2c2n(C)cnc12
Show InChI InChI=1S/C11H14N6OS/c1-12-9-6-8(17(2)5-14-6)7-10(16-9)19-11(15-7)13-3-4-18/h5,18H,3-4H2,1-2H3,(H,12,16)(H,13,15)
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n/an/a 300n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28550
PNG
(4-N-benzyl-8-N,12-dimethyl-5-thia-3,7,10,12-tetraa...)
Show SMILES CNc1nc2sc(NCc3ccccc3)nc2c2n(C)cnc12
Show InChI InChI=1S/C16H16N6S/c1-17-14-11-13(22(2)9-19-11)12-15(21-14)23-16(20-12)18-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,17,21)(H,18,20)
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n/an/a 1.50E+3n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28549
PNG
(4-N,8-N,12-trimethyl-5-thia-3,7,10,12-tetraazatric...)
Show SMILES CNc1nc2c(nc(NC)c3ncn(C)c23)s1
Show InChI InChI=1S/C10H12N6S/c1-11-8-5-7(16(3)4-13-5)6-9(15-8)17-10(12-2)14-6/h4H,1-3H3,(H,11,15)(H,12,14)
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n/an/a 920n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28548
PNG
(4-methanesulfonyl-N,12-dimethyl-5-thia-3,7,10,12-t...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)S(C)(=O)=O
Show InChI InChI=1S/C10H11N5O2S2/c1-11-8-5-7(15(2)4-12-5)6-9(14-8)18-10(13-6)19(3,16)17/h4H,1-3H3,(H,11,14)
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n/an/a 81n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28547
PNG
(N,12-dimethyl-4-(methylsulfanyl)-5-thia-3,7,10,12-...)
Show SMILES CNc1nc2sc(SC)nc2c2n(C)cnc12
Show InChI InChI=1S/C10H11N5S2/c1-11-8-5-7(15(2)4-12-5)6-9(14-8)17-10(13-6)16-3/h4H,1-3H3,(H,11,14)
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n/an/a 28n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28546
PNG
(N,5,12-trimethyl-4-phenyl-3,5,7,10,12-pentaazatric...)
Show SMILES CNc1nc2n(C)c(nc2c2n(C)cnc12)-c1ccccc1
Show InChI InChI=1S/C16H16N6/c1-17-14-11-13(21(2)9-18-11)12-16(20-14)22(3)15(19-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,20)
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n/an/a 520n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28545
PNG
(N,12-dimethyl-4-phenyl-5-thia-3,7,10,12-tetraazatr...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1ccccc1
Show InChI InChI=1S/C15H13N5S/c1-16-13-10-12(20(2)8-17-10)11-15(19-13)21-14(18-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,19)
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n/an/a 6n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28544
PNG
(N,12-dimethyl-4-phenyl-5-oxa-3,7,10,12-tetraazatri...)
Show SMILES CNc1nc2oc(nc2c2n(C)cnc12)-c1ccccc1
Show InChI InChI=1S/C15H13N5O/c1-16-13-10-12(20(2)8-17-10)11-15(19-13)21-14(18-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,19)
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n/an/a 11n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM28543
PNG
(N,3-dimethyl-11-phenyl-1,3,5,8,12-pentaazatricyclo...)
Show SMILES CNc1nc2cc(nn2c2n(C)cnc12)-c1ccccc1
Show InChI InChI=1S/C15H14N6/c1-16-14-13-15(20(2)9-17-13)21-12(18-14)8-11(19-21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,18)
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n/an/a 34n/an/an/an/a7.522



Bristol-Myers Squibb Company



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM26098
PNG
(3-amino-5-(thiophen-3-yl)thiophene-2-carboxamide |...)
Show SMILES NC(=O)c1sc(cc1N)-c1ccsc1
Show InChI InChI=1S/C9H8N2OS2/c10-6-3-7(5-1-2-13-4-5)14-8(6)9(11)12/h1-4H,10H2,(H2,11,12)
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n/an/a 1.12E+4n/an/an/an/a7.625



Pfizer



Assay Description
The inhibitory effect of test compounds on kinase activity was measured using a biotinylated I-Kappa-B-alpha peptide and increasing doses of inhibito...


Bioorg Med Chem Lett 15: 2870-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.090
BindingDB Entry DOI: 10.7270/Q2T72FRG
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM26097
PNG
(2-(carbamoylamino)-5-[2-(3-methanesulfonamidopheny...)
Show SMILES CS(=O)(=O)Nc1cccc(c1)C#Cc1cc(C(N)=O)c(NC(N)=O)s1
Show InChI InChI=1S/C15H14N4O4S2/c1-25(22,23)19-10-4-2-3-9(7-10)5-6-11-8-12(13(16)20)14(24-11)18-15(17)21/h2-4,7-8,19H,1H3,(H2,16,20)(H3,17,18,21)
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n/an/a 454n/an/an/an/a7.625



Pfizer



Assay Description
The inhibitory effect of test compounds on kinase activity was measured using a biotinylated I-Kappa-B-alpha peptide and increasing doses of inhibito...


Bioorg Med Chem Lett 15: 2870-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.090
BindingDB Entry DOI: 10.7270/Q2T72FRG
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM26077
PNG
(2-(carbamoylamino)-5-[2-(thiophen-3-yl)ethynyl]thi...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)C#Cc1ccsc1
Show InChI InChI=1S/C12H9N3O2S2/c13-10(16)9-5-8(19-11(9)15-12(14)17)2-1-7-3-4-18-6-7/h3-6H,(H2,13,16)(H3,14,15,17)
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n/an/a 420n/an/an/an/a7.625



Pfizer



Assay Description
The inhibitory effect of test compounds on kinase activity was measured using a biotinylated I-Kappa-B-alpha peptide and increasing doses of inhibito...


Bioorg Med Chem Lett 15: 2870-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.090
BindingDB Entry DOI: 10.7270/Q2T72FRG
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM26078
PNG
(2-(carbamoylamino)-5-{2-[5-(hydroxymethyl)thiophen...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)C#Cc1csc(CO)c1
Show InChI InChI=1S/C13H11N3O3S2/c14-11(18)10-4-8(21-12(10)16-13(15)19)2-1-7-3-9(5-17)20-6-7/h3-4,6,17H,5H2,(H2,14,18)(H3,15,16,19)
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n/an/a 195n/an/an/an/a7.625



Pfizer



Assay Description
The inhibitory effect of test compounds on kinase activity was measured using a biotinylated I-Kappa-B-alpha peptide and increasing doses of inhibito...


Bioorg Med Chem Lett 15: 2870-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.090
BindingDB Entry DOI: 10.7270/Q2T72FRG
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM26079
PNG
(2-(carbamoylamino)-5-{2-[5-(1-hydroxypropyl)thioph...)
Show SMILES CCC(O)c1cc(cs1)C#Cc1cc(C(N)=O)c(NC(N)=O)s1
Show InChI InChI=1S/C15H15N3O3S2/c1-2-11(19)12-5-8(7-22-12)3-4-9-6-10(13(16)20)14(23-9)18-15(17)21/h5-7,11,19H,2H2,1H3,(H2,16,20)(H3,17,18,21)
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n/an/a 465n/an/an/an/a7.625



Pfizer



Assay Description
The inhibitory effect of test compounds on kinase activity was measured using a biotinylated I-Kappa-B-alpha peptide and increasing doses of inhibito...


Bioorg Med Chem Lett 15: 2870-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.090
BindingDB Entry DOI: 10.7270/Q2T72FRG
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM26080
PNG
(2-(carbamoylamino)-5-{2-[5-(1-hydroxy-2-methylprop...)
Show SMILES CC(C)C(O)c1cc(cs1)C#Cc1cc(C(N)=O)c(NC(N)=O)s1
Show InChI InChI=1S/C16H17N3O3S2/c1-8(2)13(20)12-5-9(7-23-12)3-4-10-6-11(14(17)21)15(24-10)19-16(18)22/h5-8,13,20H,1-2H3,(H2,17,21)(H3,18,19,22)
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n/an/a 563n/an/an/an/a7.625



Pfizer



Assay Description
The inhibitory effect of test compounds on kinase activity was measured using a biotinylated I-Kappa-B-alpha peptide and increasing doses of inhibito...


Bioorg Med Chem Lett 15: 2870-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.090
BindingDB Entry DOI: 10.7270/Q2T72FRG
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM26081
PNG
(2-(carbamoylamino)-5-[2-(5-cyanothiophen-3-yl)ethy...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)C#Cc1csc(c1)C#N
Show InChI InChI=1S/C13H8N4O2S2/c14-5-9-3-7(6-20-9)1-2-8-4-10(11(15)18)12(21-8)17-13(16)19/h3-4,6H,(H2,15,18)(H3,16,17,19)
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n/an/a 333n/an/an/an/a7.625



Pfizer



Assay Description
The inhibitory effect of test compounds on kinase activity was measured using a biotinylated I-Kappa-B-alpha peptide and increasing doses of inhibito...


Bioorg Med Chem Lett 15: 2870-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.090
BindingDB Entry DOI: 10.7270/Q2T72FRG
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM26082
PNG
(2-(carbamoylamino)-5-[2-(3-fluorophenyl)ethynyl]th...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)C#Cc1cccc(F)c1
Show InChI InChI=1S/C14H10FN3O2S/c15-9-3-1-2-8(6-9)4-5-10-7-11(12(16)19)13(21-10)18-14(17)20/h1-3,6-7H,(H2,16,19)(H3,17,18,20)
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n/an/a 331n/an/an/an/a7.625



Pfizer



Assay Description
The inhibitory effect of test compounds on kinase activity was measured using a biotinylated I-Kappa-B-alpha peptide and increasing doses of inhibito...


Bioorg Med Chem Lett 15: 2870-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.090
BindingDB Entry DOI: 10.7270/Q2T72FRG
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM26083
PNG
(2-(carbamoylamino)-5-[2-(2-fluorophenyl)ethynyl]th...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)C#Cc1ccccc1F
Show InChI InChI=1S/C14H10FN3O2S/c15-11-4-2-1-3-8(11)5-6-9-7-10(12(16)19)13(21-9)18-14(17)20/h1-4,7H,(H2,16,19)(H3,17,18,20)
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n/an/a 620n/an/an/an/a7.625



Pfizer



Assay Description
The inhibitory effect of test compounds on kinase activity was measured using a biotinylated I-Kappa-B-alpha peptide and increasing doses of inhibito...


Bioorg Med Chem Lett 15: 2870-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.090
BindingDB Entry DOI: 10.7270/Q2T72FRG
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM26096
PNG
(5-acetylenyl-3-thiophenecarboxamide, 1t | methyl N...)
Show SMILES COC(=O)NCCC(=O)Nc1cccc(c1)C#Cc1cc(C(N)=O)c(NC(N)=O)s1
Show InChI InChI=1S/C19H19N5O5S/c1-29-19(28)22-8-7-15(25)23-12-4-2-3-11(9-12)5-6-13-10-14(16(20)26)17(30-13)24-18(21)27/h2-4,9-10H,7-8H2,1H3,(H2,20,26)(H,22,28)(H,23,25)(H3,21,24,27)
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n/an/a 4.40E+3n/an/an/an/a7.625



Pfizer



Assay Description
The inhibitory effect of test compounds on kinase activity was measured using a biotinylated I-Kappa-B-alpha peptide and increasing doses of inhibito...


Bioorg Med Chem Lett 15: 2870-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.090
BindingDB Entry DOI: 10.7270/Q2T72FRG
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM26095
PNG
(2-(carbamoylamino)-5-(2-{3-[2-(dimethylamino)aceta...)
Show SMILES CN(C)CC(=O)Nc1cccc(c1)C#Cc1cc(C(N)=O)c(NC(N)=O)s1
Show InChI InChI=1S/C18H19N5O3S/c1-23(2)10-15(24)21-12-5-3-4-11(8-12)6-7-13-9-14(16(19)25)17(27-13)22-18(20)26/h3-5,8-9H,10H2,1-2H3,(H2,19,25)(H,21,24)(H3,20,22,26)
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n/an/a 1.88E+3n/an/an/an/a7.625



Pfizer



Assay Description
The inhibitory effect of test compounds on kinase activity was measured using a biotinylated I-Kappa-B-alpha peptide and increasing doses of inhibito...


Bioorg Med Chem Lett 15: 2870-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.090
BindingDB Entry DOI: 10.7270/Q2T72FRG
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM26094
PNG
(2-(carbamoylamino)-5-{2-[3-(2,2,2-trifluoroacetami...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)C#Cc1cccc(NC(=O)C(F)(F)F)c1
Show InChI InChI=1S/C16H11F3N4O3S/c17-16(18,19)14(25)22-9-3-1-2-8(6-9)4-5-10-7-11(12(20)24)13(27-10)23-15(21)26/h1-3,6-7H,(H2,20,24)(H,22,25)(H3,21,23,26)
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n/an/a 980n/an/an/an/a7.625



Pfizer



Assay Description
The inhibitory effect of test compounds on kinase activity was measured using a biotinylated I-Kappa-B-alpha peptide and increasing doses of inhibito...


Bioorg Med Chem Lett 15: 2870-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.090
BindingDB Entry DOI: 10.7270/Q2T72FRG
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM26093
PNG
(2-(carbamoylamino)-5-[2-(3-acetamidophenyl)ethynyl...)
Show SMILES CC(=O)Nc1cccc(c1)C#Cc1cc(C(N)=O)c(NC(N)=O)s1
Show InChI InChI=1S/C16H14N4O3S/c1-9(21)19-11-4-2-3-10(7-11)5-6-12-8-13(14(17)22)15(24-12)20-16(18)23/h2-4,7-8H,1H3,(H2,17,22)(H,19,21)(H3,18,20,23)
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n/an/a 964n/an/an/an/a7.625



Pfizer



Assay Description
The inhibitory effect of test compounds on kinase activity was measured using a biotinylated I-Kappa-B-alpha peptide and increasing doses of inhibito...


Bioorg Med Chem Lett 15: 2870-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.090
BindingDB Entry DOI: 10.7270/Q2T72FRG
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM26092
PNG
(5-[2-(3-benzamidophenyl)ethynyl]-2-(carbamoylamino...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)C#Cc1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C21H16N4O3S/c22-18(26)17-12-16(29-20(17)25-21(23)28)10-9-13-5-4-8-15(11-13)24-19(27)14-6-2-1-3-7-14/h1-8,11-12H,(H2,22,26)(H,24,27)(H3,23,25,28)
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n/an/a 704n/an/an/an/a7.625



Pfizer



Assay Description
The inhibitory effect of test compounds on kinase activity was measured using a biotinylated I-Kappa-B-alpha peptide and increasing doses of inhibito...


Bioorg Med Chem Lett 15: 2870-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.090
BindingDB Entry DOI: 10.7270/Q2T72FRG
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM26091
PNG
(5-acetylenyl-3-thiophenecarboxamide, 1o | N-(3-{2-...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)C#Cc1cccc(NC(=O)c2ccncc2)c1
Show InChI InChI=1S/C20H15N5O3S/c21-17(26)16-11-15(29-19(16)25-20(22)28)5-4-12-2-1-3-14(10-12)24-18(27)13-6-8-23-9-7-13/h1-3,6-11H,(H2,21,26)(H,24,27)(H3,22,25,28)
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n/an/a 1.85E+3n/an/an/an/a7.625



Pfizer



Assay Description
The inhibitory effect of test compounds on kinase activity was measured using a biotinylated I-Kappa-B-alpha peptide and increasing doses of inhibito...


Bioorg Med Chem Lett 15: 2870-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.090
BindingDB Entry DOI: 10.7270/Q2T72FRG
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM26090
PNG
(5-acetylenyl-3-thiophenecarboxamide, 1n | N-(3-{2-...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)C#Cc1cccc(NC(=O)c2cccnc2)c1
Show InChI InChI=1S/C20H15N5O3S/c21-17(26)16-10-15(29-19(16)25-20(22)28)7-6-12-3-1-5-14(9-12)24-18(27)13-4-2-8-23-11-13/h1-5,8-11H,(H2,21,26)(H,24,27)(H3,22,25,28)
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n/an/a 557n/an/an/an/a7.625



Pfizer



Assay Description
The inhibitory effect of test compounds on kinase activity was measured using a biotinylated I-Kappa-B-alpha peptide and increasing doses of inhibito...


Bioorg Med Chem Lett 15: 2870-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.090
BindingDB Entry DOI: 10.7270/Q2T72FRG
More data for this
Ligand-Target Pair
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