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PubMed code 15225717

Compile data set for download or QSAR
Found 23 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 beta


(Homo sapiens (Human))
BDBM50149812
PNG
(2''-Amino-6''-phenyl-1,2,3,4,5,6-hexahydro-[3,4'']...)
Show SMILES Nc1nc(cc(C2CCCNC2)c1C#N)-c1ccccc1
Show InChI InChI=1S/C17H18N4/c18-10-15-14(13-7-4-8-20-11-13)9-16(21-17(15)19)12-5-2-1-3-6-12/h1-3,5-6,9,13,20H,4,7-8,11H2,(H2,19,21)
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n/an/a>20n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human I-kappa-B-kinase beta


Bioorg Med Chem Lett 14: 4013-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.040
BindingDB Entry DOI: 10.7270/Q2PC31VC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149806
PNG
(2''-Amino-6''-(2-hydroxy-phenyl)-1,2,3,4,5,6-hexah...)
Show SMILES Nc1nc(cc(C2CCCNC2)c1C#N)-c1ccccc1O
Show InChI InChI=1S/C17H18N4O/c18-9-14-13(11-4-3-7-20-10-11)8-15(21-17(14)19)12-5-1-2-6-16(12)22/h1-2,5-6,8,11,20,22H,3-4,7,10H2,(H2,19,21)
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n/an/a 25n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human I-kappa-B-kinase beta


Bioorg Med Chem Lett 14: 4013-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.040
BindingDB Entry DOI: 10.7270/Q2PC31VC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM50149806
PNG
(2''-Amino-6''-(2-hydroxy-phenyl)-1,2,3,4,5,6-hexah...)
Show SMILES Nc1nc(cc(C2CCCNC2)c1C#N)-c1ccccc1O
Show InChI InChI=1S/C17H18N4O/c18-9-14-13(11-4-3-7-20-10-11)8-15(21-17(14)19)12-5-1-2-6-16(12)22/h1-2,5-6,8,11,20,22H,3-4,7,10H2,(H2,19,21)
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n/an/a 25n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibition of I-kappa-B-kinase alpha


Bioorg Med Chem Lett 14: 4013-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.040
BindingDB Entry DOI: 10.7270/Q2PC31VC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149822
PNG
(2-Amino-4-[1-amino-2-(4-fluoro-phenyl)-ethyl]-6-(2...)
Show SMILES NC(Cc1ccc(F)cc1)c1cc(nc(N)c1C#N)-c1ccccc1O
Show InChI InChI=1S/C20H17FN4O/c21-13-7-5-12(6-8-13)9-17(23)15-10-18(25-20(24)16(15)11-22)14-3-1-2-4-19(14)26/h1-8,10,17,26H,9,23H2,(H2,24,25)
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n/an/a 40n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human I-kappa-B-kinase beta


Bioorg Med Chem Lett 14: 4013-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.040
BindingDB Entry DOI: 10.7270/Q2PC31VC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149815
PNG
(2-Amino-4-(1-amino-2-phenyl-ethyl)-6-(2-hydroxy-ph...)
Show SMILES NC(Cc1ccccc1)c1cc(nc(N)c1C#N)-c1ccccc1O
Show InChI InChI=1S/C20H18N4O/c21-12-16-15(17(22)10-13-6-2-1-3-7-13)11-18(24-20(16)23)14-8-4-5-9-19(14)25/h1-9,11,17,25H,10,22H2,(H2,23,24)
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n/an/a 60n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human I-kappa-B-kinase beta


Bioorg Med Chem Lett 14: 4013-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.040
BindingDB Entry DOI: 10.7270/Q2PC31VC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149818
PNG
(2-Amino-4-(2-amino-ethyl)-6-(2-hydroxy-phenyl)-nic...)
Show SMILES NCCc1cc(nc(N)c1C#N)-c1ccccc1O
Show InChI InChI=1S/C14H14N4O/c15-6-5-9-7-12(18-14(17)11(9)8-16)10-3-1-2-4-13(10)19/h1-4,7,19H,5-6,15H2,(H2,17,18)
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n/an/a 70n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human I-kappa-B-kinase beta


Bioorg Med Chem Lett 14: 4013-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.040
BindingDB Entry DOI: 10.7270/Q2PC31VC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149819
PNG
(2-Amino-4-[1-amino-2-(4-methoxy-phenyl)-ethyl]-6-(...)
Show SMILES COc1ccc(CC(N)c2cc(nc(N)c2C#N)-c2ccccc2O)cc1
Show InChI InChI=1S/C21H20N4O2/c1-27-14-8-6-13(7-9-14)10-18(23)16-11-19(25-21(24)17(16)12-22)15-4-2-3-5-20(15)26/h2-9,11,18,26H,10,23H2,1H3,(H2,24,25)
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n/an/a 80n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human I-kappa-B-kinase beta


Bioorg Med Chem Lett 14: 4013-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.040
BindingDB Entry DOI: 10.7270/Q2PC31VC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149820
PNG
(2-Amino-4-(2-amino-2-phenyl-ethyl)-6-(2-hydroxy-ph...)
Show SMILES NC(Cc1cc(nc(N)c1C#N)-c1ccccc1O)c1ccccc1
Show InChI InChI=1S/C20H18N4O/c21-12-16-14(10-17(22)13-6-2-1-3-7-13)11-18(24-20(16)23)15-8-4-5-9-19(15)25/h1-9,11,17,25H,10,22H2,(H2,23,24)
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n/an/a 110n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human I-kappa-B-kinase beta


Bioorg Med Chem Lett 14: 4013-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.040
BindingDB Entry DOI: 10.7270/Q2PC31VC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149809
PNG
(2-Amino-4-(1-amino-ethyl)-6-(2-hydroxy-phenyl)-nic...)
Show SMILES CC(N)c1cc(nc(N)c1C#N)-c1ccccc1O
Show InChI InChI=1S/C14H14N4O/c1-8(16)10-6-12(18-14(17)11(10)7-15)9-4-2-3-5-13(9)19/h2-6,8,19H,16H2,1H3,(H2,17,18)
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n/an/a 150n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human I-kappa-B-kinase beta


Bioorg Med Chem Lett 14: 4013-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.040
BindingDB Entry DOI: 10.7270/Q2PC31VC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149813
PNG
(2''-Amino-5''-fluoro-6''-(2-hydroxy-phenyl)-1,2,3,...)
Show SMILES Nc1nc(c(F)c(C2CCCNC2)c1C#N)-c1ccccc1O
Show InChI InChI=1S/C17H17FN4O/c18-15-14(10-4-3-7-21-9-10)12(8-19)17(20)22-16(15)11-5-1-2-6-13(11)23/h1-2,5-6,10,21,23H,3-4,7,9H2,(H2,20,22)
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n/an/a 230n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human I-kappa-B-kinase beta


Bioorg Med Chem Lett 14: 4013-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.040
BindingDB Entry DOI: 10.7270/Q2PC31VC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149807
PNG
(2''-Amino-6''-(2-hydroxy-phenyl)-1-methyl-1,2,3,4,...)
Show SMILES CN1CCCC(C1)c1cc(nc(N)c1C#N)-c1ccccc1O
Show InChI InChI=1S/C18H20N4O/c1-22-8-4-5-12(11-22)14-9-16(21-18(20)15(14)10-19)13-6-2-3-7-17(13)23/h2-3,6-7,9,12,23H,4-5,8,11H2,1H3,(H2,20,21)
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n/an/a 230n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human I-kappa-B-kinase beta


Bioorg Med Chem Lett 14: 4013-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.040
BindingDB Entry DOI: 10.7270/Q2PC31VC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149824
PNG
(2-Amino-4-(1-amino-2-methyl-propyl)-6-(2-hydroxy-p...)
Show SMILES CC(C)C(N)c1cc(nc(N)c1C#N)-c1ccccc1O
Show InChI InChI=1S/C16H18N4O/c1-9(2)15(18)11-7-13(20-16(19)12(11)8-17)10-5-3-4-6-14(10)21/h3-7,9,15,21H,18H2,1-2H3,(H2,19,20)
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n/an/a 240n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human I-kappa-B-kinase beta


Bioorg Med Chem Lett 14: 4013-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.040
BindingDB Entry DOI: 10.7270/Q2PC31VC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human I-kappa-B-kinase beta


Bioorg Med Chem Lett 14: 4013-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.040
BindingDB Entry DOI: 10.7270/Q2PC31VC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149810
PNG
(2-Amino-6-(2-hydroxy-phenyl)-1'',2'',3'',4'',5'',6...)
Show SMILES Nc1nc(cc(C2CCNCC2)c1C#N)-c1ccccc1O
Show InChI InChI=1S/C17H18N4O/c18-10-14-13(11-5-7-20-8-6-11)9-15(21-17(14)19)12-3-1-2-4-16(12)22/h1-4,9,11,20,22H,5-8H2,(H2,19,21)
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n/an/a 300n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human I-kappa-B-kinase beta


Bioorg Med Chem Lett 14: 4013-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.040
BindingDB Entry DOI: 10.7270/Q2PC31VC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149808
PNG
(CHEMBL182312 | N-[3''-Cyano-6''-(2-hydroxy-phenyl)...)
Show SMILES CC(=O)Nc1nc(cc(C2CCCNC2)c1C#N)-c1ccccc1O
Show InChI InChI=1S/C19H20N4O2/c1-12(24)22-19-16(10-20)15(13-5-4-8-21-11-13)9-17(23-19)14-6-2-3-7-18(14)25/h2-3,6-7,9,13,21,25H,4-5,8,11H2,1H3,(H,22,23,24)
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n/an/a 330n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human I-kappa-B-kinase beta


Bioorg Med Chem Lett 14: 4013-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.040
BindingDB Entry DOI: 10.7270/Q2PC31VC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149823
PNG
(2-Amino-4-(2-amino-propyl)-6-(2-hydroxy-phenyl)-ni...)
Show SMILES CC(N)Cc1cc(nc(N)c1C#N)-c1ccccc1O
Show InChI InChI=1S/C15H16N4O/c1-9(17)6-10-7-13(19-15(18)12(10)8-16)11-4-2-3-5-14(11)20/h2-5,7,9,20H,6,17H2,1H3,(H2,18,19)
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n/an/a 470n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human I-kappa-B-kinase beta


Bioorg Med Chem Lett 14: 4013-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.040
BindingDB Entry DOI: 10.7270/Q2PC31VC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149821
PNG
(2-Amino-4-(1-amino-pentyl)-6-(2-hydroxy-phenyl)-ni...)
Show SMILES CCCCC(N)c1cc(nc(N)c1C#N)-c1ccccc1O
Show InChI InChI=1S/C17H20N4O/c1-2-3-7-14(19)12-9-15(21-17(20)13(12)10-18)11-6-4-5-8-16(11)22/h4-6,8-9,14,22H,2-3,7,19H2,1H3,(H2,20,21)
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n/an/a 480n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human I-kappa-B-kinase beta


Bioorg Med Chem Lett 14: 4013-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.040
BindingDB Entry DOI: 10.7270/Q2PC31VC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149817
PNG
(2''-Amino-6''-(2-hydroxy-phenyl)-1,2,3,4,5,6-hexah...)
Show SMILES Nc1nc(cc(C2CCCCN2)c1C#N)-c1ccccc1O
Show InChI InChI=1S/C17H18N4O/c18-10-13-12(14-6-3-4-8-20-14)9-15(21-17(13)19)11-5-1-2-7-16(11)22/h1-2,5,7,9,14,20,22H,3-4,6,8H2,(H2,19,21)
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n/an/a 530n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human I-kappa-B-kinase beta


Bioorg Med Chem Lett 14: 4013-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.040
BindingDB Entry DOI: 10.7270/Q2PC31VC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50124308
PNG
(CHEMBL173484 | N-{3-[2-Amino-3-cyano-6-(2-hydroxy-...)
Show SMILES Nc1nc(cc(-c2cccc(NC(=O)CCN3CCCCC3)c2)c1C#N)-c1ccccc1O
Show InChI InChI=1S/C26H27N5O2/c27-17-22-21(16-23(30-26(22)28)20-9-2-3-10-24(20)32)18-7-6-8-19(15-18)29-25(33)11-14-31-12-4-1-5-13-31/h2-3,6-10,15-16,32H,1,4-5,11-14H2,(H2,28,30)(H,29,33)
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n/an/a 600n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human I-kappa-B-kinase beta


Bioorg Med Chem Lett 14: 4013-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.040
BindingDB Entry DOI: 10.7270/Q2PC31VC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149814
PNG
(2-Amino-4-(1-amino-3-phenyl-propyl)-6-(2-hydroxy-p...)
Show SMILES NC(CCc1ccccc1)c1cc(nc(N)c1C#N)-c1ccccc1O
Show InChI InChI=1S/C21H20N4O/c22-13-17-16(18(23)11-10-14-6-2-1-3-7-14)12-19(25-21(17)24)15-8-4-5-9-20(15)26/h1-9,12,18,26H,10-11,23H2,(H2,24,25)
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n/an/a 730n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human I-kappa-B-kinase beta


Bioorg Med Chem Lett 14: 4013-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.040
BindingDB Entry DOI: 10.7270/Q2PC31VC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50124313
PNG
(5-Oxo-tetrahydro-furan-2-carboxylic acid {3-[2-ami...)
Show SMILES Nc1nc(cc(-c2cccc(NC(=O)C3CCC(=O)O3)c2)c1C#N)-c1ccccc1O
Show InChI InChI=1S/C23H18N4O4/c24-12-17-16(11-18(27-22(17)25)15-6-1-2-7-19(15)28)13-4-3-5-14(10-13)26-23(30)20-8-9-21(29)31-20/h1-7,10-11,20,28H,8-9H2,(H2,25,27)(H,26,30)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human I-kappa-B-kinase beta


Bioorg Med Chem Lett 14: 4013-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.040
BindingDB Entry DOI: 10.7270/Q2PC31VC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149816
PNG
(2''-Amino-6''-(2-hydroxy-phenyl)-[3,4'']bipyridiny...)
Show SMILES Nc1nc(cc(-c2cccnc2)c1C#N)-c1ccccc1O
Show InChI InChI=1S/C17H12N4O/c18-9-14-13(11-4-3-7-20-10-11)8-15(21-17(14)19)12-5-1-2-6-16(12)22/h1-8,10,22H,(H2,19,21)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human I-kappa-B-kinase beta


Bioorg Med Chem Lett 14: 4013-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.040
BindingDB Entry DOI: 10.7270/Q2PC31VC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149811
PNG
(6''-(2-Hydroxy-phenyl)-2''-methylamino-1,2,3,4,5,6...)
Show SMILES CNc1nc(cc(C2CCCNC2)c1C#N)-c1ccccc1O
Show InChI InChI=1S/C18H20N4O/c1-20-18-15(10-19)14(12-5-4-8-21-11-12)9-16(22-18)13-6-2-3-7-17(13)23/h2-3,6-7,9,12,21,23H,4-5,8,11H2,1H3,(H,20,22)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human I-kappa-B-kinase beta


Bioorg Med Chem Lett 14: 4013-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.040
BindingDB Entry DOI: 10.7270/Q2PC31VC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%