Found 58 hits with Last Name = 'lee' and Initial = 'my' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50175305
(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- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 0.0640 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50241089
(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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.370 | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4798160)Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)C#N)cc3)C2=O)CC1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50550913
(CHEMBL4798160)Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)C#N)cc3)C2=O)CC1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 204 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4750150)Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)[N+]([O-])=O)cc3)C2=O)CC1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 219 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4750150)Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)[N+]([O-])=O)cc3)C2=O)CC1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 219 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4750150)Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)[N+]([O-])=O)cc3)C2=O)CC1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50470411
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50550928
(CHEMBL4750150)Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)[N+]([O-])=O)cc3)C2=O)CC1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50550913
(CHEMBL4798160)Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)C#N)cc3)C2=O)CC1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 252 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 288 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 299 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50550928
(CHEMBL4750150)Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)[N+]([O-])=O)cc3)C2=O)CC1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 347 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50550913
(CHEMBL4798160)Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)C#N)cc3)C2=O)CC1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 347 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 372 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4753837)Show SMILES CN1CCN(CCCCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(Br)cc4)cc3)C2=O)CC1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50550913
(CHEMBL4798160)Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)C#N)cc3)C2=O)CC1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 575 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4751303)Show SMILES CN1CCN(CCCCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(F)cc4)cc3)C2=O)CC1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50550914
(CHEMBL4792120)Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(F)cc4)cc3)C2=O)CC1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50175307
(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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4748753)Show SMILES COc1ccc(Oc2ccc(\C=C3/SC(=O)N(C3=O)c3ccc(OCCCCCN4CCN(C)CC4)cc3)cc2)cc1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50470412
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4764685)Show SMILES CN1CCN(CCCCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)CC1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4790170)Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)C#N)cc3)C2=O)CC1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50550919
(CHEMBL4752782)Show SMILES CN1CCN(CCCCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(C)cc4)cc3)C2=O)CC1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 870 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50470411
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4780092)Show SMILES CN1CCN(CCCCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(NC(C)=O)cc4)cc3)C2=O)CC1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.71E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4757692)Show SMILES COc1ccc(Oc2ccc(\C=C3/SC(=O)N(C3=O)c3cccc(OCCCCCN4CCN(C)CC4)c3)cc2)cc1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.43E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4760095)Show SMILES CN1CCN(CCCCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(N)cc4)cc3)C2=O)CC1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.61E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4744861)Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)CC1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.61E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4750418)Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(Br)cc4)cc3)C2=O)CC1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.67E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4763247)Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(C)cc4)cc3)C2=O)CC1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.73E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4785371)Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(F)cc4)cc3)C2=O)CC1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.06E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL1834040)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) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4754915)Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(N)cc4)cc3)C2=O)CC1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.07E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.35E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |