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Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'lee' and Initial = 'my'   
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
Aurora kinase A


(Homo sapiens (Human))
BDBM50175305
PNG
(CHEMBL3600873)
Show SMILES OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F |r,wU:3.2,wD:19.24,(2.4,1.65,;1.33,2.27,;1.34,3.5,;,1.54,;-1.33,2.27,;-2.67,1.5,;-2.64,-.04,;-3.96,-.84,;-5.31,-.09,;-5.34,1.45,;-6.69,2.19,;-8,1.39,;-8.11,-.13,;-9.61,-.48,;-10.41,.83,;-9.4,2,;-4.02,2.24,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;1.34,-3.85,;2.67,-3.07,;4.01,-3.84,;4.01,-5.38,;2.68,-6.15,;2.68,-7.39,;1.34,-5.39,;.28,-6.01,)|
Show InChI InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22-
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n/an/a 0.0640n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 26: 3067-72 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.017
BindingDB Entry DOI: 10.7270/Q20K2BGN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase B


(Homo sapiens (Human))
BDBM50241089
PNG
(2-(ethyl(3-(4-(5-(2-(3-fluorophenylamino)-2-oxoeth...)
Show SMILES CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1)CCOP(O)(O)=O
Show InChI InChI=1S/C26H31FN7O6P/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33)
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n/an/a 0.370n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin)


Bioorg Med Chem Lett 26: 3067-72 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.017
BindingDB Entry DOI: 10.7270/Q20K2BGN
More data for this
Ligand-Target Pair
Aurora kinase B


(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 1.5n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using myelin protein as substrate assessed as ADP generation after 60 mins by ADP-glo assay


Bioorg Med Chem Lett 26: 3067-72 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.017
BindingDB Entry DOI: 10.7270/Q20K2BGN
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550913
PNG
(CHEMBL4798160)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)C#N)cc3)C2=O)CC1
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TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate pretreated for 10 mins followed measured after 2 hrs by TR-...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550913
PNG
(CHEMBL4798160)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)C#N)cc3)C2=O)CC1
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n/an/a 204n/an/an/an/an/an/a


TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins followed by substrate addition and me...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550928
PNG
(CHEMBL4750150)
Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)[N+]([O-])=O)cc3)C2=O)CC1
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TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins followed by substrate addition and me...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550928
PNG
(CHEMBL4750150)
Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)[N+]([O-])=O)cc3)C2=O)CC1
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n/an/a 219n/an/an/an/an/an/a


TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins followed by substrate addition and me...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550928
PNG
(CHEMBL4750150)
Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)[N+]([O-])=O)cc3)C2=O)CC1
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TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate pretreated for 10 mins followed measured after 2 hrs by TR-...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50470411
PNG
(CHEMBL4294525)
Show SMILES Fc1ccc(Oc2ccc(\C=C3/SC(=O)N(C3=O)c3ccc(OCCCCCN4CCN(CC5CC5)CC4)cc3)cc2)cc1
Show InChI InChI=1S/C35H38FN3O4S/c36-28-8-14-32(15-9-28)43-31-12-6-26(7-13-31)24-33-34(40)39(35(41)44-33)29-10-16-30(17-11-29)42-23-3-1-2-18-37-19-21-38(22-20-37)25-27-4-5-27/h6-17,24,27H,1-5,18-23,25H2/b33-24-
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Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Irreversible inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate measured after 60 mins


Eur J Med Chem 157: 691-704 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550928
PNG
(CHEMBL4750150)
Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)[N+]([O-])=O)cc3)C2=O)CC1
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TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins followed by substrate addition and me...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550913
PNG
(CHEMBL4798160)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)C#N)cc3)C2=O)CC1
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n/an/a 251n/an/an/an/an/an/a


TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins followed by substrate addition and me...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50470412
PNG
(CHEMBL4288137)
Show SMILES Clc1cc(\C=C2/SC(=O)N(C2=O)c2ccc(OCCCN3CCN(CC4CC4)CC3)cc2)ccc1N1CCOCC1
Show InChI InChI=1S/C31H37ClN4O4S/c32-27-20-24(4-9-28(27)35-15-18-39-19-16-35)21-29-30(37)36(31(38)41-29)25-5-7-26(8-6-25)40-17-1-10-33-11-13-34(14-12-33)22-23-2-3-23/h4-9,20-21,23H,1-3,10-19,22H2/b29-21-
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n/an/a 251n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Irreversible inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate measured after 40 mins


Eur J Med Chem 157: 691-704 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50470412
PNG
(CHEMBL4288137)
Show SMILES Clc1cc(\C=C2/SC(=O)N(C2=O)c2ccc(OCCCN3CCN(CC4CC4)CC3)cc2)ccc1N1CCOCC1
Show InChI InChI=1S/C31H37ClN4O4S/c32-27-20-24(4-9-28(27)35-15-18-39-19-16-35)21-29-30(37)36(31(38)41-29)25-5-7-26(8-6-25)40-17-1-10-33-11-13-34(14-12-33)22-23-2-3-23/h4-9,20-21,23H,1-3,10-19,22H2/b29-21-
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n/an/a 252n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Irreversible inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate measured after 60 mins


Eur J Med Chem 157: 691-704 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50470412
PNG
(CHEMBL4288137)
Show SMILES Clc1cc(\C=C2/SC(=O)N(C2=O)c2ccc(OCCCN3CCN(CC4CC4)CC3)cc2)ccc1N1CCOCC1
Show InChI InChI=1S/C31H37ClN4O4S/c32-27-20-24(4-9-28(27)35-15-18-39-19-16-35)21-29-30(37)36(31(38)41-29)25-5-7-26(8-6-25)40-17-1-10-33-11-13-34(14-12-33)22-23-2-3-23/h4-9,20-21,23H,1-3,10-19,22H2/b29-21-
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n/an/a 288n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Irreversible inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate measured after 20 mins


Eur J Med Chem 157: 691-704 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50470411
PNG
(CHEMBL4294525)
Show SMILES Fc1ccc(Oc2ccc(\C=C3/SC(=O)N(C3=O)c3ccc(OCCCCCN4CCN(CC5CC5)CC4)cc3)cc2)cc1
Show InChI InChI=1S/C35H38FN3O4S/c36-28-8-14-32(15-9-28)43-31-12-6-26(7-13-31)24-33-34(40)39(35(41)44-33)29-10-16-30(17-11-29)42-23-3-1-2-18-37-19-21-38(22-20-37)25-27-4-5-27/h6-17,24,27H,1-5,18-23,25H2/b33-24-
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n/an/a 299n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Irreversible inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate measured after 40 mins


Eur J Med Chem 157: 691-704 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50470411
PNG
(CHEMBL4294525)
Show SMILES Fc1ccc(Oc2ccc(\C=C3/SC(=O)N(C3=O)c3ccc(OCCCCCN4CCN(CC5CC5)CC4)cc3)cc2)cc1
Show InChI InChI=1S/C35H38FN3O4S/c36-28-8-14-32(15-9-28)43-31-12-6-26(7-13-31)24-33-34(40)39(35(41)44-33)29-10-16-30(17-11-29)42-23-3-1-2-18-37-19-21-38(22-20-37)25-27-4-5-27/h6-17,24,27H,1-5,18-23,25H2/b33-24-
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Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Irreversible inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate measured after 20 mins


Eur J Med Chem 157: 691-704 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550928
PNG
(CHEMBL4750150)
Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)[N+]([O-])=O)cc3)C2=O)CC1
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TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins followed by substrate addition and me...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550913
PNG
(CHEMBL4798160)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)C#N)cc3)C2=O)CC1
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n/an/a 347n/an/an/an/an/an/a


TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins followed by substrate addition and me...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50470412
PNG
(CHEMBL4288137)
Show SMILES Clc1cc(\C=C2/SC(=O)N(C2=O)c2ccc(OCCCN3CCN(CC4CC4)CC3)cc2)ccc1N1CCOCC1
Show InChI InChI=1S/C31H37ClN4O4S/c32-27-20-24(4-9-28(27)35-15-18-39-19-16-35)21-29-30(37)36(31(38)41-29)25-5-7-26(8-6-25)40-17-1-10-33-11-13-34(14-12-33)22-23-2-3-23/h4-9,20-21,23H,1-3,10-19,22H2/b29-21-
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n/an/a 372n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Irreversible inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate measured immediately


Eur J Med Chem 157: 691-704 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50470411
PNG
(CHEMBL4294525)
Show SMILES Fc1ccc(Oc2ccc(\C=C3/SC(=O)N(C3=O)c3ccc(OCCCCCN4CCN(CC5CC5)CC4)cc3)cc2)cc1
Show InChI InChI=1S/C35H38FN3O4S/c36-28-8-14-32(15-9-28)43-31-12-6-26(7-13-31)24-33-34(40)39(35(41)44-33)29-10-16-30(17-11-29)42-23-3-1-2-18-37-19-21-38(22-20-37)25-27-4-5-27/h6-17,24,27H,1-5,18-23,25H2/b33-24-
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n/an/a 400n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate preincubated for 10 mins followed by substrate add...


Eur J Med Chem 157: 691-704 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550917
PNG
(CHEMBL4753837)
Show SMILES CN1CCN(CCCCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(Br)cc4)cc3)C2=O)CC1
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TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate pretreated for 10 mins followed measured after 2 hrs by TR-...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550913
PNG
(CHEMBL4798160)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)C#N)cc3)C2=O)CC1
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n/an/a 575n/an/an/an/an/an/a


TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins followed by substrate addition and me...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50175308
PNG
(CHEMBL3808793)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(CNc3nc4ccc(OCCN5CCOCC5)cc4o3)cc2)cc1Cl
Show InChI InChI=1S/C27H27Cl2N5O4/c28-22-7-5-20(15-23(22)29)32-26(35)31-19-3-1-18(2-4-19)17-30-27-33-24-8-6-21(16-25(24)38-27)37-14-11-34-9-12-36-13-10-34/h1-8,15-16H,9-14,17H2,(H,30,33)(H2,31,32,35)
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n/an/a 600n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using myelin protein as substrate assessed as ADP generation after 60 mins by ADP-glo assay


Bioorg Med Chem Lett 26: 3067-72 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.017
BindingDB Entry DOI: 10.7270/Q20K2BGN
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550915
PNG
(CHEMBL4751303)
Show SMILES CN1CCN(CCCCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(F)cc4)cc3)C2=O)CC1
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TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate pretreated for 10 mins followed measured after 2 hrs by TR-...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550914
PNG
(CHEMBL4792120)
Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(F)cc4)cc3)C2=O)CC1
PDB

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TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate pretreated for 10 mins followed measured after 2 hrs by TR-...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50175307
PNG
(CHEMBL3809311)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(CNc3nc4ccc(OCCN5CCOCC5)cc4o3)cc2)c(Cl)c1
Show InChI InChI=1S/C27H27Cl2N5O4/c28-19-3-7-23(22(29)15-19)32-26(35)31-20-4-1-18(2-5-20)17-30-27-33-24-8-6-21(16-25(24)38-27)37-14-11-34-9-12-36-13-10-34/h1-8,15-16H,9-14,17H2,(H,30,33)(H2,31,32,35)
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n/an/a 700n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using myelin protein as substrate assessed as ADP generation after 60 mins by ADP-glo assay


Bioorg Med Chem Lett 26: 3067-72 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.017
BindingDB Entry DOI: 10.7270/Q20K2BGN
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550918
PNG
(CHEMBL4748753)
Show SMILES COc1ccc(Oc2ccc(\C=C3/SC(=O)N(C3=O)c3ccc(OCCCCCN4CCN(C)CC4)cc3)cc2)cc1
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TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate pretreated for 10 mins followed measured after 2 hrs by TR-...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50470412
PNG
(CHEMBL4288137)
Show SMILES Clc1cc(\C=C2/SC(=O)N(C2=O)c2ccc(OCCCN3CCN(CC4CC4)CC3)cc2)ccc1N1CCOCC1
Show InChI InChI=1S/C31H37ClN4O4S/c32-27-20-24(4-9-28(27)35-15-18-39-19-16-35)21-29-30(37)36(31(38)41-29)25-5-7-26(8-6-25)40-17-1-10-33-11-13-34(14-12-33)22-23-2-3-23/h4-9,20-21,23H,1-3,10-19,22H2/b29-21-
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n/an/a 700n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate preincubated for 10 mins followed by substrate add...


Eur J Med Chem 157: 691-704 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550916
PNG
(CHEMBL4764685)
Show SMILES CN1CCN(CCCCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)CC1
PDB

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n/an/a 700n/an/an/an/an/an/a


TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate pretreated for 10 mins followed measured after 2 hrs by TR-...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550929
PNG
(CHEMBL4790170)
Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)C#N)cc3)C2=O)CC1
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TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate pretreated for 10 mins followed measured after 2 hrs by TR-...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550919
PNG
(CHEMBL4752782)
Show SMILES CN1CCN(CCCCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(C)cc4)cc3)C2=O)CC1
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n/an/a 870n/an/an/an/an/an/a


TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate pretreated for 10 mins followed measured after 2 hrs by TR-...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50470409
PNG
(CHEMBL4277493)
Show SMILES Clc1cc(\C=C2/SC(=O)N(C2=O)c2ccc(OCCCCCN3CCN(CC4CC4)CC3)cc2)ccc1N1CCOCC1
Show InChI InChI=1S/C33H41ClN4O4S/c34-29-22-26(6-11-30(29)37-17-20-41-21-18-37)23-31-32(39)38(33(40)43-31)27-7-9-28(10-8-27)42-19-3-1-2-12-35-13-15-36(16-14-35)24-25-4-5-25/h6-11,22-23,25H,1-5,12-21,24H2/b31-23-
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Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate preincubated for 10 mins followed by substrate add...


Eur J Med Chem 157: 691-704 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50470411
PNG
(CHEMBL4294525)
Show SMILES Fc1ccc(Oc2ccc(\C=C3/SC(=O)N(C3=O)c3ccc(OCCCCCN4CCN(CC5CC5)CC4)cc3)cc2)cc1
Show InChI InChI=1S/C35H38FN3O4S/c36-28-8-14-32(15-9-28)43-31-12-6-26(7-13-31)24-33-34(40)39(35(41)44-33)29-10-16-30(17-11-29)42-23-3-1-2-18-37-19-21-38(22-20-37)25-27-4-5-27/h6-17,24,27H,1-5,18-23,25H2/b33-24-
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n/an/a 1.10E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Irreversible inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate measured immediately


Eur J Med Chem 157: 691-704 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50470408
PNG
(CHEMBL4286618)
Show SMILES Fc1ccc(Oc2ccc(\C=C3/SC(=O)N(C3=O)c3ccc(OCCCN4CCN(CC5CC5)CC4)cc3)cc2)cc1
Show InChI InChI=1S/C33H34FN3O4S/c34-26-6-12-30(13-7-26)41-29-10-4-24(5-11-29)22-31-32(38)37(33(39)42-31)27-8-14-28(15-9-27)40-21-1-16-35-17-19-36(20-18-35)23-25-2-3-25/h4-15,22,25H,1-3,16-21,23H2/b31-22-
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n/an/a 1.40E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate preincubated for 10 mins followed by substrate add...


Eur J Med Chem 157: 691-704 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50470413
PNG
(CHEMBL4279795)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(\C=C3/SC(=O)N(C3=O)c3ccc(OCCCCN4CCN(CC5CC5)CC4)cc3)cc2)cc1
Show InChI InChI=1S/C34H36N4O6S/c39-33-32(23-25-5-11-30(12-6-25)44-31-15-9-28(10-16-31)38(41)42)45-34(40)37(33)27-7-13-29(14-8-27)43-22-2-1-17-35-18-20-36(21-19-35)24-26-3-4-26/h5-16,23,26H,1-4,17-22,24H2/b32-23-
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n/an/a 1.50E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate preincubated for 10 mins followed by substrate add...


Eur J Med Chem 157: 691-704 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50470416
PNG
(CHEMBL4287698)
Show SMILES Fc1ccc(Oc2ccc(\C=C3/SC(=O)N(C3=O)c3ccc(OCCCCN4CCN(CC5CC5)CC4)cc3)cc2)cc1
Show InChI InChI=1S/C34H36FN3O4S/c35-27-7-13-31(14-8-27)42-30-11-5-25(6-12-30)23-32-33(39)38(34(40)43-32)28-9-15-29(16-10-28)41-22-2-1-17-36-18-20-37(21-19-36)24-26-3-4-26/h5-16,23,26H,1-4,17-22,24H2/b32-23-
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n/an/a 1.70E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate preincubated for 10 mins followed by substrate add...


Eur J Med Chem 157: 691-704 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550921
PNG
(CHEMBL4780092)
Show SMILES CN1CCN(CCCCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(NC(C)=O)cc4)cc3)C2=O)CC1
PDB

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n/an/a 1.71E+3n/an/an/an/an/an/a


TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate pretreated for 10 mins followed measured after 2 hrs by TR-...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550926
PNG
(CHEMBL4757692)
Show SMILES COc1ccc(Oc2ccc(\C=C3/SC(=O)N(C3=O)c3cccc(OCCCCCN4CCN(C)CC4)c3)cc2)cc1
PDB

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n/an/a 2.43E+3n/an/an/an/an/an/a


TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate pretreated for 10 mins followed measured after 2 hrs by TR-...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550920
PNG
(CHEMBL4760095)
Show SMILES CN1CCN(CCCCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(N)cc4)cc3)C2=O)CC1
PDB

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n/an/a 2.61E+3n/an/an/an/an/an/a


TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate pretreated for 10 mins followed measured after 2 hrs by TR-...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550923
PNG
(CHEMBL4744861)
Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)CC1
PDB

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n/an/a 2.61E+3n/an/an/an/an/an/a


TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate pretreated for 10 mins followed measured after 2 hrs by TR-...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550924
PNG
(CHEMBL4750418)
Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(Br)cc4)cc3)C2=O)CC1
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n/an/a 2.67E+3n/an/an/an/an/an/a


TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate pretreated for 10 mins followed measured after 2 hrs by TR-...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550925
PNG
(CHEMBL4763247)
Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(C)cc4)cc3)C2=O)CC1
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n/an/a 2.73E+3n/an/an/an/an/an/a


TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate pretreated for 10 mins followed measured after 2 hrs by TR-...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50470416
PNG
(CHEMBL4287698)
Show SMILES Fc1ccc(Oc2ccc(\C=C3/SC(=O)N(C3=O)c3ccc(OCCCCN4CCN(CC5CC5)CC4)cc3)cc2)cc1
Show InChI InChI=1S/C34H36FN3O4S/c35-27-7-13-31(14-8-27)42-30-11-5-25(6-12-30)23-32-33(39)38(34(40)43-32)28-9-15-29(16-10-28)41-22-2-1-17-36-18-20-37(21-19-36)24-26-3-4-26/h5-16,23,26H,1-4,17-22,24H2/b32-23-
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n/an/a 3.40E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells assessed as reduction in tail current at -80 holding potential after 100 to 200 secs by whole cell a...


Eur J Med Chem 157: 691-704 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550922
PNG
(CHEMBL4785371)
Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(F)cc4)cc3)C2=O)CC1
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n/an/a 6.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate pretreated for 10 mins followed measured after 2 hrs by TR-...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50354687
PNG
(CHEMBL1834040)
Show SMILES Nc1ccccc1Oc1ccc(cc1)-c1nc(N)nc(N)n1
Show InChI InChI=1S/C15H14N6O/c16-11-3-1-2-4-12(11)22-10-7-5-9(6-8-10)13-19-14(17)21-15(18)20-13/h1-8H,16H2,(H4,17,18,19,20,21)
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n/an/a 7.80E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human IKKbeta using IKKtide as substrate after 20 mins by [gamma-33P]-ATP based radiometric assay


Eur J Med Chem 157: 691-704 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50470410
PNG
(CHEMBL4279373)
Show SMILES Brc1ccc(Oc2ccc(\C=C3/SC(=O)N(C3=O)c3ccc(OCCCCN4CCN(CC5CC5)CC4)cc3)cc2)cc1
Show InChI InChI=1S/C34H36BrN3O4S/c35-27-7-13-31(14-8-27)42-30-11-5-25(6-12-30)23-32-33(39)38(34(40)43-32)28-9-15-29(16-10-28)41-22-2-1-17-36-18-20-37(21-19-36)24-26-3-4-26/h5-16,23,26H,1-4,17-22,24H2/b32-23-
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n/an/a 7.90E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate preincubated for 10 mins followed by substrate add...


Eur J Med Chem 157: 691-704 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50550927
PNG
(CHEMBL4754915)
Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(N)cc4)cc3)C2=O)CC1
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n/an/a 8.07E+3n/an/an/an/an/an/a


TBA

Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate pretreated for 10 mins followed measured after 2 hrs by TR-...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50470414
PNG
(CHEMBL4291114)
Show SMILES Brc1ccc(Oc2ccc(\C=C3/SC(=O)N(C3=O)c3ccc(OCCCCN4CCN(CC4)C(=O)C4CC4)cc3)cc2)cc1
Show InChI InChI=1S/C34H34BrN3O5S/c35-26-7-13-30(14-8-26)43-29-11-3-24(4-12-29)23-31-33(40)38(34(41)44-31)27-9-15-28(16-10-27)42-22-2-1-17-36-18-20-37(21-19-36)32(39)25-5-6-25/h3-4,7-16,23,25H,1-2,5-6,17-22H2/b31-23-
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n/an/a 8.60E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate preincubated for 10 mins followed by substrate add...


Eur J Med Chem 157: 691-704 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50175306
PNG
(CHEMBL3809709)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(CNc3nc4ccc(OCCN5CCOCC5)cc4o3)cc2)cc1
Show InChI InChI=1S/C27H28ClN5O4/c28-20-3-7-22(8-4-20)31-26(34)30-21-5-1-19(2-6-21)18-29-27-32-24-10-9-23(17-25(24)37-27)36-16-13-33-11-14-35-15-12-33/h1-10,17H,11-16,18H2,(H,29,32)(H2,30,31,34)
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n/an/a 1.02E+4n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using myelin protein as substrate assessed as ADP generation after 60 mins by ADP-glo assay


Bioorg Med Chem Lett 26: 3067-72 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.017
BindingDB Entry DOI: 10.7270/Q20K2BGN
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50501397
PNG
(CHEMBL4098368)
Show SMILES COc1cc(\C=C\C2=CC(=O)CC(O2)c2ccc(O)c(OC)c2)ccc1O |t:7|
Show InChI InChI=1S/C21H20O6/c1-25-20-9-13(4-7-17(20)23)3-6-16-11-15(22)12-19(27-16)14-5-8-18(24)21(10-14)26-2/h3-11,19,23-24H,12H2,1-2H3/b6-3+
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n/an/a 1.35E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel in Sprague-Dawley rat aortic rings assessed as reduction in Bay K8644-induced vasoconstriction preincubated with...


J Nat Prod 80: 196-200 (2017)


Article DOI: 10.1021/acs.jnatprod.6b00331
BindingDB Entry DOI: 10.7270/Q2GM8B9C
More data for this
Ligand-Target Pair
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