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Compile Data Set for Download or QSAR

Found 1550 hits Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit epsilon'   
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 epsilon


(Homo sapiens (Human))
BDBM277944
PNG
((S)-2-((3,3-difluoro-1-(4H-1,2,4-triazole-3-carbon...)
Show SMILES FC1(F)CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1nnc[nH]1 |r|
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Gilead Sciences, Inc.

US Patent




US Patent US10040781 (2018)


Article DOI: 10.1021/jm970366v
BindingDB Entry DOI: 10.7270/Q22V2J41
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278268
PNG
(2-(((3R,4S)-3-fluoro-1-(5-methyl-4H-1,2,4-triazole...)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)c3nnc(C)[nH]3)c(c2)C#N)cc1C |r|
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Gilead Sciences, Inc.

US Patent




US Patent US10040781 (2018)


Article DOI: 10.1021/jm970366v
BindingDB Entry DOI: 10.7270/Q22V2J41
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278275
PNG
(2-(((3R,4S)-3-fluoro-1-((S)-2-hydroxypropanoyl)pip...)
Show SMILES C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCNCC3)n2)[C@H](F)C1 |r|
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Gilead Sciences, Inc.

US Patent




US Patent US10040781 (2018)


Article DOI: 10.1021/jm970366v
BindingDB Entry DOI: 10.7270/Q22V2J41
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278276
PNG
(2-(((3R,4S)-3-fluoro-1-((S)-2-hydroxypropanoyl)pip...)
Show SMILES C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C)CC3)n2)[C@H](F)C1 |r|
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Gilead Sciences, Inc.

US Patent




US Patent US10040781 (2018)


Article DOI: 10.1021/jm970366v
BindingDB Entry DOI: 10.7270/Q22V2J41
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278278
PNG
(5-(4-((4-((S)-2,4-dimethylpiperazin-1-yl)phenyl)am...)
Show SMILES C[C@H]1CN(C)CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cc1 |r|
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Gilead Sciences, Inc.

US Patent




US Patent US10040781 (2018)


Article DOI: 10.1021/jm970366v
BindingDB Entry DOI: 10.7270/Q22V2J41
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278279
PNG
(5-(4-((4-((S)-2,4-dimethylpiperazin-1-yl)phenyl)am...)
Show SMILES C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C)C[C@@H]3C)n2)[C@H](F)C1 |r|
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Gilead Sciences, Inc.

US Patent




US Patent US10040781 (2018)


Article DOI: 10.1021/jm970366v
BindingDB Entry DOI: 10.7270/Q22V2J41
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278007
PNG
(2-(((3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-...)
Show SMILES OC[C@H]1CN(CCO1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cc1 |r|
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Gilead Sciences, Inc.

US Patent




US Patent US10040781 (2018)


Article DOI: 10.1021/jm970366v
BindingDB Entry DOI: 10.7270/Q22V2J41
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278286
PNG
(5-(4-((4-((S)-2,4-dimethylpiperazin-1-yl)-3-methox...)
Show SMILES COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)ccc1N1CCN(C)C[C@@H]1C |r|
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Gilead Sciences, Inc.

US Patent




US Patent US10040781 (2018)


Article DOI: 10.1021/jm970366v
BindingDB Entry DOI: 10.7270/Q22V2J41
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278293
PNG
(2-(((3R,4S)-1-((S)-2,3-dihydroxypropanoyl)-3-fluor...)
Show SMILES C[C@H]1CN(C)CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@@H](O)CO)c(c2)C#N)cc1 |r|
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Gilead Sciences, Inc.

US Patent




US Patent US10040781 (2018)


Article DOI: 10.1021/jm970366v
BindingDB Entry DOI: 10.7270/Q22V2J41
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278038
PNG
(2-(((S)-3,3-difluoro-1-(4H-1,2,4-triazole-3-carbon...)
Show SMILES C[C@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)c3nnc[nH]3)c(c2)C#N)cc1)C1COC1 |r|
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Gilead Sciences, Inc.

US Patent




US Patent US10040781 (2018)


Article DOI: 10.1021/jm970366v
BindingDB Entry DOI: 10.7270/Q22V2J41
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278039
PNG
(2-(((S)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-...)
Show SMILES C[C@H]1CN(CCN1C1COC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)CO)c(c2)C#N)cc1 |r|
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Gilead Sciences, Inc.

US Patent




US Patent US10040781 (2018)


Article DOI: 10.1021/jm970366v
BindingDB Entry DOI: 10.7270/Q22V2J41
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278079
PNG
((S)-2-((1-acetyl-3,3-difluoropiperidin-4-yl)oxy)-5...)
Show SMILES CC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)C3CCNCC3)n2)C(F)(F)C1 |r|
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Gilead Sciences, Inc.

US Patent




US Patent US10040781 (2018)


Article DOI: 10.1021/jm970366v
BindingDB Entry DOI: 10.7270/Q22V2J41
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278080
PNG
((S)-2-((1-acetyl-3,3-difluoropiperidin-4-yl)oxy)-5...)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(C)=O)c(c2)C#N)cc1 |r|
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Gilead Sciences, Inc.

US Patent




US Patent US10040781 (2018)


Article DOI: 10.1021/jm970366v
BindingDB Entry DOI: 10.7270/Q22V2J41
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278081
PNG
((S)-2-((3,3-difluoro-1-formylpiperidin-4-yl)oxy)-5...)
Show SMILES Cc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C=O)c(c2)C#N)ccc1C1CCNCC1 |r|
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Gilead Sciences, Inc.

US Patent




US Patent US10040781 (2018)


Article DOI: 10.1021/jm970366v
BindingDB Entry DOI: 10.7270/Q22V2J41
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278082
PNG
((S)-2-((3,3-difluoro-1-formylpiperidin-4-yl)oxy)-5...)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C=O)c(c2)C#N)cc1C |r|
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Gilead Sciences, Inc.

US Patent




US Patent US10040781 (2018)


Article DOI: 10.1021/jm970366v
BindingDB Entry DOI: 10.7270/Q22V2J41
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278083
PNG
(2-(((3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-...)
Show SMILES OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)C3CCN(CC3)C3COC3)n2)[C@H](F)C1 |r|
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Gilead Sciences, Inc.

US Patent




US Patent US10040781 (2018)


Article DOI: 10.1021/jm970366v
BindingDB Entry DOI: 10.7270/Q22V2J41
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278084
PNG
(2-(((3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-...)
Show SMILES OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3CCOCC3)n2)[C@H](F)C1 |r|
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Gilead Sciences, Inc.

US Patent




US Patent US10040781 (2018)


Article DOI: 10.1021/jm970366v
BindingDB Entry DOI: 10.7270/Q22V2J41
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278103
PNG
(2-(((3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-...)
Show SMILES COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)ccc1N1CCC(CC1)N1CCOCC1 |r|
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Gilead Sciences, Inc.

US Patent




US Patent US10040781 (2018)


Article DOI: 10.1021/jm970366v
BindingDB Entry DOI: 10.7270/Q22V2J41
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276896
PNG
(US10072001, Example 82)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N
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Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276969
PNG
(US10072001, Example 145)
Show SMILES COc1cc(ccc1N1CCN(CC1)C1COC1)-c1cc2c(ncnc2[nH]1)-c1ccc(O[C@H]2CCN(C[C@H]2F)C(=O)CO)c(c1)C#N |r|
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Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276965
PNG
(US10072001, Example 141)
Show SMILES COc1cc(ccc1N1CCN(CC1)C1COC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2(F)F)C(=O)CO)c(c1)C#N
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Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276877
PNG
(US10072001, Example 63)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCCC2)cc1
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Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276879
PNG
(US10072001, Example 65)
Show SMILES CN(C)Cc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N
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Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276868
PNG
(US10072001, Example 54)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCNCC1
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Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM277059
PNG
(US10072001, Example 251)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N
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Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM277037
PNG
(US10072001, Example 229)
Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(OCCN2CCCC2)cc1
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Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM144137
PNG
(US8969335, A74)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cc(ccn2)C2CCNCC2)c1
Show InChI InChI=1S/C27H29N5O2/c28-18-23-15-20(1-2-25(23)34-24-7-13-33-14-8-24)22-6-12-31-27(17-22)32-26-16-21(5-11-30-26)19-3-9-29-10-4-19/h1-2,5-6,11-12,15-17,19,24,29H,3-4,7-10,13-14H2,(H,30,31,32)
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n/an/a 1n/an/an/an/a7.530



MERCK PATENT GmbH

US Patent


Assay Description
1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of IKKi


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM277023
PNG
(US10072001, Example 200)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCNCC1
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n/an/a 1.03n/an/an/an/a7.0n/a



Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276921
PNG
(US10072001, Example 212)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N
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n/an/a 1.08n/an/an/an/a7.0n/a



Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276985
PNG
(US10072001, Example 161)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N
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n/an/a 1.12n/an/an/an/a7.0n/a



Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276929
PNG
(US10072001, Example 306)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N
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n/an/a 1.21n/an/an/an/a7.0n/a



Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276943
PNG
(US10072001, Example 119)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1cccc(Cn2ccnc2)c1
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n/an/a 1.22n/an/an/an/a7.0n/a



Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276823
PNG
(US10072001, Example 9)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1cnn(c1)C1CNC1
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n/an/a 1.41n/an/an/an/a7.0n/a



Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276981
PNG
(US10072001, Example 157)
Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCN(CC1)C1COC1
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n/an/a 1.43n/an/an/an/a7.0n/a



Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276999
PNG
(US10072001, Example 176)
Show SMILES OCC(=O)N1CCC(Oc2cnc(cc2C#N)-c2ccnc3[nH]c(cc23)-c2ccc(cc2)N2CCN(CC2)C2COC2)C(F)(F)C1
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n/an/a 1.44n/an/an/an/a7.0n/a



Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM277029
PNG
(US10072001, Example 220)
Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1
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n/an/a 1.48n/an/an/an/a7.0n/a



Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276816
PNG
(US10072001, Example 2)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1
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n/an/a 1.5n/an/an/an/a7.0n/a



Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276824
PNG
(US10072001, Example 10)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1cnn(c1)C1CCNCC1
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n/an/a 1.74n/an/an/an/a7.0n/a



Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM277064
PNG
(US10072001, Example 256)
Show SMILES CC1CN(CCN1CCF)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N
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n/an/a 1.79n/an/an/an/a7.0n/a



Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM277034
PNG
(US10072001, Example 226)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1ccc(OCCN2CCCC2)cc1
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n/an/a 1.80n/an/an/an/a7.0n/a



Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276987
PNG
(US10072001, Example 163)
Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)NC1COC1
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n/an/a 1.80n/an/an/an/a7.0n/a



Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM277010
PNG
(US10072001, Example 187)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N
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n/an/a 1.88n/an/an/an/a7.0n/a



Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM144220
PNG
(US8969335, A45)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCC3CCNCC3)c2)n1
Show InChI InChI=1S/C26H31N7O2/c27-16-21-15-20(1-2-25(21)35-23-7-13-34-14-8-23)24-5-11-29-26(32-24)31-22-17-30-33(18-22)12-6-19-3-9-28-10-4-19/h1-2,5,11,15,17-19,23,28H,3-4,6-10,12-14H2,(H,29,31,32)
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n/an/a 2n/an/an/an/a7.530



MERCK PATENT GmbH

US Patent


Assay Description
1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM277041
PNG
(US10072001, Example 233)
Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(OCCN2CCCC2)cc1
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n/an/a 2.04n/an/an/an/a7.0n/a



Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM277076
PNG
(US10072001, Example 268)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)C(F)F)c(c1)C#N
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n/an/a 2.25n/an/an/an/a7.0n/a



Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276973
PNG
(US10072001, Example 149)
Show SMILES CC(C)(O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(O[C@@H]2CCN(C2)C(=O)CO)c(c1)C#N |r|
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n/an/a 2.27n/an/an/an/a7.0n/a



Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276880
PNG
(US10072001, Example 66)
Show SMILES CN(C)Cc1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N
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n/an/a 2.32n/an/an/an/a7.0n/a



Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276984
PNG
(US10072001, Example 160)
Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCOCC1
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n/an/a 2.33n/an/an/an/a7.0n/a



Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276982
PNG
(US10072001, Example 158)
Show SMILES OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(N2CCOCC2)c(F)c1
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n/an/a 2.39n/an/an/an/a7.0n/a



Gilead Sciences, Inc.

US Patent




US Patent US10072001 (2018)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
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