Found 29 hits of Enzyme Inhibition Constant Data 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 |
|---|
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207213
(CHEMBL3924516)Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2ccccc2[N+]([O-])=O)cc1 Show InChI InChI=1S/C16H13N5O4S/c17-26(24,25)12-7-5-11(6-8-12)19-16-18-10-9-14(20-16)13-3-1-2-4-15(13)21(22)23/h1-10H,(H2,17,24,25)(H,18,19,20) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207211
(CHEMBL3942409)Show SMILES Nc1ccccc1Oc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C22H19N5O3S/c23-19-3-1-2-4-21(19)30-17-9-5-15(6-10-17)20-13-14-25-22(27-20)26-16-7-11-18(12-8-16)31(24,28)29/h1-14H,23H2,(H2,24,28,29)(H,25,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207215
(CHEMBL3956314)Show SMILES CS(=O)(=O)Nc1ccc(Nc2nccc(n2)-c2ccc(Oc3ccccc3[N+]([O-])=O)cc2)cc1 Show InChI InChI=1S/C23H19N5O5S/c1-34(31,32)27-18-10-8-17(9-11-18)25-23-24-15-14-20(26-23)16-6-12-19(13-7-16)33-22-5-3-2-4-21(22)28(29)30/h2-15,27H,1H3,(H,24,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207181
(CHEMBL3950927)Show SMILES CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2ccc(Oc3ccccc3[N+]([O-])=O)cc2)cc1 Show InChI InChI=1S/C23H19N5O5S/c1-24-34(31,32)19-12-8-17(9-13-19)26-23-25-15-14-20(27-23)16-6-10-18(11-7-16)33-22-5-3-2-4-21(22)28(29)30/h2-15,24H,1H3,(H,25,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207180
(CHEMBL3905427)Show SMILES Nc1ccccc1Oc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)n1 Show InChI InChI=1S/C25H20N6O3S2/c26-21-3-1-2-4-23(21)34-19-9-5-17(6-10-19)22-13-14-27-24(30-22)29-18-7-11-20(12-8-18)36(32,33)31-25-28-15-16-35-25/h1-16H,26H2,(H,28,31)(H,27,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207220
(CHEMBL3969107)Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2ccc(Oc3ccccc3)cc2)cc1 Show InChI InChI=1S/C22H18N4O3S/c23-30(27,28)20-12-8-17(9-13-20)25-22-24-15-14-21(26-22)16-6-10-19(11-7-16)29-18-4-2-1-3-5-18/h1-15H,(H2,23,27,28)(H,24,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207212
(CHEMBL3933432)Show SMILES Nc1ccccc1Oc1ccc(cc1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C22H19N5O3S/c23-19-6-1-2-7-21(19)30-17-10-8-15(9-11-17)20-12-13-25-22(27-20)26-16-4-3-5-18(14-16)31(24,28)29/h1-14H,23H2,(H2,24,28,29)(H,25,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207221
(CHEMBL3941784)Show SMILES CS(=O)(=O)c1ccc(Nc2nccc(n2)-c2ccc(Oc3ccccc3N)cc2)cc1 Show InChI InChI=1S/C23H20N4O3S/c1-31(28,29)19-12-8-17(9-13-19)26-23-25-15-14-21(27-23)16-6-10-18(11-7-16)30-22-5-3-2-4-20(22)24/h2-15H,24H2,1H3,(H,25,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207210
(CHEMBL3951141)Show SMILES CC(=O)Nc1ccc(Nc2nccc(n2)-c2ccc(Oc3ccccc3N)cc2)cc1 Show InChI InChI=1S/C24H21N5O2/c1-16(30)27-18-8-10-19(11-9-18)28-24-26-15-14-22(29-24)17-6-12-20(13-7-17)31-23-5-3-2-4-21(23)25/h2-15H,25H2,1H3,(H,27,30)(H,26,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207222
(CHEMBL3931665)Show SMILES Nc1ccccc1Oc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C23H17N5OS/c24-18-3-1-2-4-21(18)29-17-8-5-15(6-9-17)19-11-12-25-23(28-19)27-16-7-10-20-22(13-16)30-14-26-20/h1-14H,24H2,(H,25,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207218
(CHEMBL3978861)Show SMILES Nc1ccccc1Oc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C23H17N5O/c24-15-16-5-9-18(10-6-16)27-23-26-14-13-21(28-23)17-7-11-19(12-8-17)29-22-4-2-1-3-20(22)25/h1-14H,25H2,(H,26,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207228
(CHEMBL3908471)Show SMILES CC(=O)c1ccc(Nc2nccc(n2)-c2ccc(Oc3ccccc3N)cc2)cc1 Show InChI InChI=1S/C24H20N4O2/c1-16(29)17-6-10-19(11-7-17)27-24-26-15-14-22(28-24)18-8-12-20(13-9-18)30-23-5-3-2-4-21(23)25/h2-15H,25H2,1H3,(H,26,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207227
(CHEMBL3953014)Show InChI InChI=1S/C22H18N4O/c23-19-8-4-5-9-21(19)27-18-12-10-16(11-13-18)20-14-15-24-22(26-20)25-17-6-2-1-3-7-17/h1-15H,23H2,(H,24,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207219
(CHEMBL3961722)Show SMILES COc1ccc(Nc2nccc(n2)-c2ccc(Oc3ccccc3N)cc2)cc1 Show InChI InChI=1S/C23H20N4O2/c1-28-18-12-8-17(9-13-18)26-23-25-15-14-21(27-23)16-6-10-19(11-7-16)29-22-5-3-2-4-20(22)24/h2-15H,24H2,1H3,(H,25,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207209
(CHEMBL3923421)Show SMILES NC(=O)c1ccc(Nc2nccc(n2)-c2ccc(Oc3ccccc3N)cc2)cc1 Show InChI InChI=1S/C23H19N5O2/c24-19-3-1-2-4-21(19)30-18-11-7-15(8-12-18)20-13-14-26-23(28-20)27-17-9-5-16(6-10-17)22(25)29/h1-14H,24H2,(H2,25,29)(H,26,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207216
(CHEMBL3938827)Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C16H13ClN4O2S/c17-12-3-1-11(2-4-12)15-9-10-19-16(21-15)20-13-5-7-14(8-6-13)24(18,22)23/h1-10H,(H2,18,22,23)(H,19,20,21) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207223
(CHEMBL3889755)Show SMILES CCOC(=O)Nc1ccc(Nc2nccc(n2)-c2ccc(Oc3ccccc3[N+]([O-])=O)cc2)cc1 Show InChI InChI=1S/C25H21N5O5/c1-2-34-25(31)28-19-11-9-18(10-12-19)27-24-26-16-15-21(29-24)17-7-13-20(14-8-17)35-23-6-4-3-5-22(23)30(32)33/h3-16H,2H2,1H3,(H,28,31)(H,26,27,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207214
(CHEMBL3958793)Show SMILES COC(=O)Nc1ccc(Nc2nccc(n2)-c2ccc(Oc3ccccc3[N+]([O-])=O)cc2)cc1 Show InChI InChI=1S/C24H19N5O5/c1-33-24(30)27-18-10-8-17(9-11-18)26-23-25-15-14-20(28-23)16-6-12-19(13-7-16)34-22-5-3-2-4-21(22)29(31)32/h2-15H,1H3,(H,27,30)(H,25,26,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207187
(CHEMBL3943189)Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2ccc(Oc3ccccc3N)cc2)cc1 Show InChI InChI=1S/C24H23N5O/c1-29(2)19-11-9-18(10-12-19)27-24-26-16-15-22(28-24)17-7-13-20(14-8-17)30-23-6-4-3-5-21(23)25/h3-16H,25H2,1-2H3,(H,26,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.87E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207226
(CHEMBL3972750)Show SMILES Nc1ccccc1Oc1ccc(cc1)-c1ccnc(Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C22H17ClN4O/c23-16-7-9-17(10-8-16)26-22-25-14-13-20(27-22)15-5-11-18(12-6-15)28-21-4-2-1-3-19(21)24/h1-14H,24H2,(H,25,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207229
(CHEMBL3970026)Show SMILES Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C16H15N5O2S/c17-12-3-1-11(2-4-12)15-9-10-19-16(21-15)20-13-5-7-14(8-6-13)24(18,22)23/h1-10H,17H2,(H2,18,22,23)(H,19,20,21) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207183
(CHEMBL3934219)Show SMILES Cc1ccc(Nc2nccc(n2)-c2ccc(Oc3ccccc3N)cc2)cc1 Show InChI InChI=1S/C23H20N4O/c1-16-6-10-18(11-7-16)26-23-25-15-14-21(27-23)17-8-12-19(13-9-17)28-22-5-3-2-4-20(22)24/h2-15H,24H2,1H3,(H,25,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207225
(CHEMBL3899545)Show SMILES Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)S(=O)(=O)NCCO)n1 Show InChI InChI=1S/C18H19N5O3S/c19-14-3-1-13(2-4-14)17-9-10-20-18(23-17)22-15-5-7-16(8-6-15)27(25,26)21-11-12-24/h1-10,21,24H,11-12,19H2,(H,20,22,23) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207182
(CHEMBL3946648)Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C17H13N5O2S/c18-11-12-1-3-13(4-2-12)16-9-10-20-17(22-16)21-14-5-7-15(8-6-14)25(19,23)24/h1-10H,(H2,19,23,24)(H,20,21,22) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207185
(CHEMBL3901722)Show SMILES NCCOc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H19N5O3S/c19-10-12-26-15-5-1-13(2-6-15)17-9-11-21-18(23-17)22-14-3-7-16(8-4-14)27(20,24)25/h1-9,11H,10,12,19H2,(H2,20,24,25)(H,21,22,23) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207186
(CHEMBL3967405)Show SMILES CN(C)CCOc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C20H23N5O3S/c1-25(2)13-14-28-17-7-3-15(4-8-17)19-11-12-22-20(24-19)23-16-5-9-18(10-6-16)29(21,26)27/h3-12H,13-14H2,1-2H3,(H2,21,26,27)(H,22,23,24) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207184
(CHEMBL3890215)Show SMILES OCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C19H17N5O3S/c20-13-14-1-3-15(4-2-14)18-9-10-21-19(24-18)23-16-5-7-17(8-6-16)28(26,27)22-11-12-25/h1-10,22,25H,11-12H2,(H,21,23,24) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.11E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207224
(CHEMBL3968376)Show SMILES CC(C)(C)OC(=O)NCCOc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C23H27N5O5S/c1-23(2,3)33-22(29)26-14-15-32-18-8-4-16(5-9-18)20-12-13-25-21(28-20)27-17-6-10-19(11-7-17)34(24,30)31/h4-13H,14-15H2,1-3H3,(H,26,29)(H2,24,30,31)(H,25,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.38E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50207217
(CHEMBL3939542)Show SMILES OCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cccc(c2)C#N)cc1 Show InChI InChI=1S/C19H17N5O3S/c20-13-14-2-1-3-15(12-14)18-8-9-21-19(24-18)23-16-4-6-17(7-5-16)28(26,27)22-10-11-25/h1-9,12,22,25H,10-11H2,(H,21,23,24) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Eur J Med Chem 123: 544-556 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X |
More data for this
Ligand-Target Pair | |
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