Found 41 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)) | BDBM50124310
(CHEMBL170406 | Sodium; 4-{4-[2-amino-3-cyano-6-(2-...)Show SMILES Nc1nc(cc(-c2ccc(NC(=O)CCCC([O-])=O)cc2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C23H20N4O4/c24-13-18-17(12-19(27-23(18)25)16-4-1-2-5-20(16)28)14-8-10-15(11-9-14)26-21(29)6-3-7-22(30)31/h1-2,4-5,8-12,28H,3,6-7H2,(H2,25,27)(H,26,29)(H,30,31)/p-1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124307
(2-[2-Amino-3-cyano-6-(2-hydroxy-phenyl)-pyridin-4-...)Show SMILES Nc1nc(cc(-c2ccccc2C(=O)NCCN2CCCCC2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C26H27N5O2/c27-17-22-21(16-23(30-25(22)28)20-10-4-5-11-24(20)32)18-8-2-3-9-19(18)26(33)29-12-15-31-13-6-1-7-14-31/h2-5,8-11,16,32H,1,6-7,12-15H2,(H2,28,30)(H,29,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124323
(3-Amino-N-{3-[2-amino-3-cyano-6-(2-hydroxy-phenyl)...)Show SMILES NC(CC(O)=O)C(=O)Nc1cccc(c1)-c1cc(nc(N)c1C#N)-c1ccccc1O Show InChI InChI=1S/C22H19N5O4/c23-11-16-15(9-18(27-21(16)25)14-6-1-2-7-19(14)28)12-4-3-5-13(8-12)26-22(31)17(24)10-20(29)30/h1-9,17,28H,10,24H2,(H2,25,27)(H,26,31)(H,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124335
(2-Amino-N-{3-[2-amino-3-cyano-6-(2-hydroxy-phenyl)...)Show SMILES NC(CC(=O)Nc1cccc(c1)-c1cc(nc(N)c1C#N)-c1ccccc1O)C(O)=O Show InChI InChI=1S/C22H19N5O4/c23-11-16-15(9-18(27-21(16)25)14-6-1-2-7-19(14)28)12-4-3-5-13(8-12)26-20(29)10-17(24)22(30)31/h1-9,17,28H,10,24H2,(H2,25,27)(H,26,29)(H,30,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124308
(CHEMBL173484 | N-{3-[2-Amino-3-cyano-6-(2-hydroxy-...)Show SMILES Nc1nc(cc(-c2cccc(NC(=O)CCN3CCCCC3)c2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C26H27N5O2/c27-17-22-21(16-23(30-26(22)28)20-9-2-3-10-24(20)32)18-7-6-8-19(15-18)29-25(33)11-14-31-12-4-1-5-13-31/h2-3,6-10,15-16,32H,1,4-5,11-14H2,(H2,28,30)(H,29,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124327
(4-[2-Amino-3-cyano-6-(2-hydroxy-phenyl)-pyridin-4-...)Show SMILES Nc1nc(cc(-c2ccc(cc2)C(=O)NCCN2CCCCC2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C26H27N5O2/c27-17-22-21(16-23(30-25(22)28)20-6-2-3-7-24(20)32)18-8-10-19(11-9-18)26(33)29-12-15-31-13-4-1-5-14-31/h2-3,6-11,16,32H,1,4-5,12-15H2,(H2,28,30)(H,29,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124312
(CHEMBL354947 | Sodium; 4-[2-amino-3-cyano-6-(2-hyd...)Show SMILES Nc1nc(cc(-c2ccc(cc2)C([O-])=O)c1C#N)-c1ccccc1O Show InChI InChI=1S/C19H13N3O3/c20-10-15-14(11-5-7-12(8-6-11)19(24)25)9-16(22-18(15)21)13-3-1-2-4-17(13)23/h1-9,23H,(H2,21,22)(H,24,25)/p-1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124336
(CHEMBL424766 | Sodium; 2-[2-amino-3-cyano-6-(2-hyd...)Show SMILES Nc1nc(cc(-c2ccccc2C([O-])=O)c1C#N)-c1ccccc1O Show InChI InChI=1S/C19H13N3O3/c20-10-15-14(11-5-1-2-6-12(11)19(24)25)9-16(22-18(15)21)13-7-3-4-8-17(13)23/h1-9,23H,(H2,21,22)(H,24,25)/p-1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124309
(CHEMBL535135 | N-{5-[2-Amino-3-cyano-6-(2-hydroxy-...)Show SMILES CN(C)c1ccc(cc1NC(=O)CCN1CCCCC1)-c1cc(nc(N)c1C#N)-c1ccccc1O Show InChI InChI=1S/C28H32N6O2/c1-33(2)25-11-10-19(16-24(25)31-27(36)12-15-34-13-6-3-7-14-34)21-17-23(32-28(30)22(21)18-29)20-8-4-5-9-26(20)35/h4-5,8-11,16-17,35H,3,6-7,12-15H2,1-2H3,(H2,30,32)(H,31,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124319
(CHEMBL434691 | Sodium; 4-{3-[2-amino-3-cyano-6-(2-...)Show SMILES Nc1nc(cc(-c2cccc(NC(=O)C(O)CCC([O-])=O)c2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C23H20N4O5/c24-12-17-16(11-18(27-22(17)25)15-6-1-2-7-19(15)28)13-4-3-5-14(10-13)26-23(32)20(29)8-9-21(30)31/h1-7,10-11,20,28-29H,8-9H2,(H2,25,27)(H,26,32)(H,30,31)/p-1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124306
(CHEMBL534692 | N-{5-[2-Amino-3-cyano-6-(2-hydroxy-...)Show SMILES Nc1nc(cc(-c2ccc(N3CCCC3)c(NC(=O)CCN3CCCCC3)c2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C30H34N6O2/c31-20-24-23(19-25(34-30(24)32)22-8-2-3-9-28(22)37)21-10-11-27(36-15-6-7-16-36)26(18-21)33-29(38)12-17-35-13-4-1-5-14-35/h2-3,8-11,18-19,37H,1,4-7,12-17H2,(H2,32,34)(H,33,38) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124316
(CHEMBL171291 | N-{4-[2-Amino-3-cyano-6-(2-hydroxy-...)Show SMILES Nc1nc(cc(-c2ccc(NC(=O)CCN3CCCCC3)cc2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C26H27N5O2/c27-17-22-21(16-23(30-26(22)28)20-6-2-3-7-24(20)32)18-8-10-19(11-9-18)29-25(33)12-15-31-13-4-1-5-14-31/h2-3,6-11,16,32H,1,4-5,12-15H2,(H2,28,30)(H,29,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124324
(CHEMBL170189 | Sodium; 4-{3-[2-amino-3-cyano-6-(2-...)Show SMILES Nc1nc(cc(-c2cccc(NC(=O)CCCC([O-])=O)c2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C23H20N4O4/c24-13-18-17(12-19(27-23(18)25)16-7-1-2-8-20(16)28)14-5-3-6-15(11-14)26-21(29)9-4-10-22(30)31/h1-3,5-8,11-12,28H,4,9-10H2,(H2,25,27)(H,26,29)(H,30,31)/p-1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124337
(CHEMBL174201 | N-{3-[2-Amino-3-cyano-6-(2-hydroxy-...)Show SMILES COCC(=O)Nc1cccc(c1)-c1cc(nc(N)c1C#N)-c1ccccc1O Show InChI InChI=1S/C21H18N4O3/c1-28-12-20(27)24-14-6-4-5-13(9-14)16-10-18(25-21(23)17(16)11-22)15-7-2-3-8-19(15)26/h2-10,26H,12H2,1H3,(H2,23,25)(H,24,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124313
(5-Oxo-tetrahydro-furan-2-carboxylic acid {3-[2-ami...)Show SMILES Nc1nc(cc(-c2cccc(NC(=O)C3CCC(=O)O3)c2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C23H18N4O4/c24-12-17-16(11-18(27-22(17)25)15-6-1-2-7-19(15)28)13-4-3-5-14(10-13)26-23(30)20-8-9-21(29)31-20/h1-7,10-11,20,28H,8-9H2,(H2,25,27)(H,26,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124317
(CHEMBL366730 | Sodium; 4-{3-[2-amino-3-cyano-6-(5-...)Show SMILES Nc1nc(cc(-c2cccc(NC(=O)C(O)CCC([O-])=O)c2)c1C#N)-c1cc(F)ccc1O Show InChI InChI=1S/C23H19FN4O5/c24-13-4-5-19(29)16(9-13)18-10-15(17(11-25)22(26)28-18)12-2-1-3-14(8-12)27-23(33)20(30)6-7-21(31)32/h1-5,8-10,20,29-30H,6-7H2,(H2,26,28)(H,27,33)(H,31,32)/p-1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124330
(3-[2-Amino-3-cyano-6-(2-hydroxy-phenyl)-pyridin-4-...)Show SMILES Nc1nc(cc(-c2cccc(c2)C(=O)NCCN2CCCCC2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C26H27N5O2/c27-17-22-21(16-23(30-25(22)28)20-9-2-3-10-24(20)32)18-7-6-8-19(15-18)26(33)29-11-14-31-12-4-1-5-13-31/h2-3,6-10,15-16,32H,1,4-5,11-14H2,(H2,28,30)(H,29,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124315
(CHEMBL173111 | Sodium; 4-{3-[2-amino-3-cyano-6-(2-...)Show SMILES COc1cccc(O)c1-c1cc(-c2cccc(NC(=O)C(O)CCC([O-])=O)c2)c(C#N)c(N)n1 Show InChI InChI=1S/C24H22N4O6/c1-34-20-7-3-6-18(29)22(20)17-11-15(16(12-25)23(26)28-17)13-4-2-5-14(10-13)27-24(33)19(30)8-9-21(31)32/h2-7,10-11,19,29-30H,8-9H2,1H3,(H2,26,28)(H,27,33)(H,31,32)/p-1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124305
(CHEMBL440200 | Sodium; 3-[2-amino-3-cyano-6-(2-hyd...)Show SMILES Nc1nc(cc(-c2cccc(c2)C([O-])=O)c1C#N)-c1ccccc1O Show InChI InChI=1S/C19H13N3O3/c20-10-15-14(11-4-3-5-12(8-11)19(24)25)9-16(22-18(15)21)13-6-1-2-7-17(13)23/h1-9,23H,(H2,21,22)(H,24,25)/p-1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124326
(CHEMBL558038 | N-{5-[2-Amino-3-cyano-6-(2-hydroxy-...)Show SMILES Nc1nc(cc(-c2ccc(N3CCCCC3)c(NC(=O)CCN3CCCCC3)c2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C31H36N6O2/c32-21-25-24(20-26(35-31(25)33)23-9-3-4-10-29(23)38)22-11-12-28(37-16-7-2-8-17-37)27(19-22)34-30(39)13-18-36-14-5-1-6-15-36/h3-4,9-12,19-20,38H,1-2,5-8,13-18H2,(H2,33,35)(H,34,39) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124331
(CHEMBL262056 | N-{3-[2-Amino-3-cyano-6-(2-hydroxy-...)Show SMILES Nc1nc(cc(-c2cccc(NC(=O)CN3CCCCC3)c2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C25H25N5O2/c26-15-21-20(14-22(29-25(21)27)19-9-2-3-10-23(19)31)17-7-6-8-18(13-17)28-24(32)16-30-11-4-1-5-12-30/h2-3,6-10,13-14,31H,1,4-5,11-12,16H2,(H2,27,29)(H,28,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124314
(CHEMBL173747 | Sodium; 4-{3-[2-amino-3-cyano-6-(2-...)Show SMILES COc1ccc(O)c(c1)-c1cc(-c2cccc(NC(=O)C(O)CCC([O-])=O)c2)c(C#N)c(N)n1 Show InChI InChI=1S/C24H22N4O6/c1-34-15-5-6-20(29)17(10-15)19-11-16(18(12-25)23(26)28-19)13-3-2-4-14(9-13)27-24(33)21(30)7-8-22(31)32/h2-6,9-11,21,29-30H,7-8H2,1H3,(H2,26,28)(H,27,33)(H,31,32)/p-1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124339
(CHEMBL174430 | Sodium; 4-{3-[2-amino-6-(5-chloro-2...)Show SMILES Nc1nc(cc(-c2cccc(NC(=O)C(O)CCC([O-])=O)c2)c1C#N)-c1cc(Cl)ccc1O Show InChI InChI=1S/C23H19ClN4O5/c24-13-4-5-19(29)16(9-13)18-10-15(17(11-25)22(26)28-18)12-2-1-3-14(8-12)27-23(33)20(30)6-7-21(31)32/h1-5,8-10,20,29-30H,6-7H2,(H2,26,28)(H,27,33)(H,31,32)/p-1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124338
(CHEMBL1187917 | CHEMBL534462 | N-{3-[2-Acetylamino...)Show SMILES CC(=O)Nc1nc(cc(-c2cccc(NC(=O)CCN3CCCCC3)c2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C28H29N5O3/c1-19(34)30-28-24(18-29)23(17-25(32-28)22-10-3-4-11-26(22)35)20-8-7-9-21(16-20)31-27(36)12-15-33-13-5-2-6-14-33/h3-4,7-11,16-17,35H,2,5-6,12-15H2,1H3,(H,31,36)(H,30,32,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124334
(CHEMBL444345 | Sodium; 4-[3-(2-amino-3-cyano-6-phe...)Show SMILES Nc1nc(cc(-c2cccc(NC(=O)C(O)CCC([O-])=O)c2)c1C#N)-c1ccccc1 Show InChI InChI=1S/C23H20N4O4/c24-13-18-17(12-19(27-22(18)25)14-5-2-1-3-6-14)15-7-4-8-16(11-15)26-23(31)20(28)9-10-21(29)30/h1-8,11-12,20,28H,9-10H2,(H2,25,27)(H,26,31)(H,29,30)/p-1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 4
(Homo sapiens (Human)) | BDBM50124313
(5-Oxo-tetrahydro-furan-2-carboxylic acid {3-[2-ami...)Show SMILES Nc1nc(cc(-c2cccc(NC(=O)C3CCC(=O)O3)c2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C23H18N4O4/c24-12-17-16(11-18(27-22(17)25)15-6-1-2-7-19(15)28)13-4-3-5-14(10-13)26-23(30)20-8-9-21(29)31-20/h1-7,10-11,20,28H,8-9H2,(H2,25,27)(H,26,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of human mitogen-activated protein kinase kinase 4 (MKK4) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124329
(2-Amino-6-(2-hydroxy-phenyl)-4-(4-nitro-phenyl)-ni...)Show SMILES Nc1nc(cc(-c2ccc(cc2)[N+]([O-])=O)c1C#N)-c1ccccc1O Show InChI InChI=1S/C18H12N4O3/c19-10-15-14(11-5-7-12(8-6-11)22(24)25)9-16(21-18(15)20)13-3-1-2-4-17(13)23/h1-9,23H,(H2,20,21) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124322
(CHEMBL539837 | N-{3-[3-Cyano-2-diethylamino-6-(2-h...)Show SMILES CCN(CC)c1nc(cc(-c2cccc(NC(=O)CCN3CCCCC3)c2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C30H35N5O2/c1-3-35(4-2)30-26(21-31)25(20-27(33-30)24-13-6-7-14-28(24)36)22-11-10-12-23(19-22)32-29(37)15-18-34-16-8-5-9-17-34/h6-7,10-14,19-20,36H,3-5,8-9,15-18H2,1-2H3,(H,32,37) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124313
(5-Oxo-tetrahydro-furan-2-carboxylic acid {3-[2-ami...)Show SMILES Nc1nc(cc(-c2cccc(NC(=O)C3CCC(=O)O3)c2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C23H18N4O4/c24-12-17-16(11-18(27-22(17)25)15-6-1-2-7-19(15)28)13-4-3-5-14(10-13)26-23(30)20-8-9-21(29)31-20/h1-7,10-11,20,28H,8-9H2,(H2,25,27)(H,26,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of human Syk |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124320
(2-Amino-4-(3-amino-phenyl)-6-(2-hydroxy-phenyl)-ni...)Show InChI InChI=1S/C18H14N4O/c19-10-15-14(11-4-3-5-12(20)8-11)9-16(22-18(15)21)13-6-1-2-7-17(13)23/h1-9,23H,20H2,(H2,21,22) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124321
(CHEMBL535358 | N-{3-[2-Amino-3-cyano-6-(3-hydroxy-...)Show SMILES Nc1nc(cc(-c2cccc(NC(=O)CCN3CCCCC3)c2)c1C#N)-c1cccc(O)c1 Show InChI InChI=1S/C26H27N5O2/c27-17-23-22(16-24(30-26(23)28)19-7-5-9-21(32)15-19)18-6-4-8-20(14-18)29-25(33)10-13-31-11-2-1-3-12-31/h4-9,14-16,32H,1-3,10-13H2,(H2,28,30)(H,29,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 4
(Homo sapiens (Human)) | BDBM50124308
(CHEMBL173484 | N-{3-[2-Amino-3-cyano-6-(2-hydroxy-...)Show SMILES Nc1nc(cc(-c2cccc(NC(=O)CCN3CCCCC3)c2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C26H27N5O2/c27-17-22-21(16-23(30-26(22)28)20-9-2-3-10-24(20)32)18-7-6-8-19(15-18)29-25(33)11-14-31-12-4-1-5-13-31/h2-3,6-10,15-16,32H,1,4-5,11-14H2,(H2,28,30)(H,29,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of human mitogen-activated protein kinase kinase 4 (MKK4) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50124313
(5-Oxo-tetrahydro-furan-2-carboxylic acid {3-[2-ami...)Show SMILES Nc1nc(cc(-c2cccc(NC(=O)C3CCC(=O)O3)c2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C23H18N4O4/c24-12-17-16(11-18(27-22(17)25)15-6-1-2-7-19(15)28)13-4-3-5-14(10-13)26-23(30)20-8-9-21(29)31-20/h1-7,10-11,20,28H,8-9H2,(H2,25,27)(H,26,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-alpha |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124328
(CHEMBL171587 | Sodium; 4-{3-[2-amino-3-cyano-6-(2-...)Show SMILES Cc1c(nc(N)c(C#N)c1-c1cccc(NC(=O)C(O)CCC([O-])=O)c1)-c1ccccc1O Show InChI InChI=1S/C24H22N4O5/c1-13-21(17(12-25)23(26)28-22(13)16-7-2-3-8-18(16)29)14-5-4-6-15(11-14)27-24(33)19(30)9-10-20(31)32/h2-8,11,19,29-30H,9-10H2,1H3,(H2,26,28)(H,27,33)(H,31,32)/p-1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124332
(CHEMBL170355 | Sodium; 4-{3-[2-amino-3-cyano-6-(2-...)Show SMILES COc1ccccc1-c1cc(-c2cccc(NC(=O)C(O)CCC([O-])=O)c2)c(C#N)c(N)n1 Show InChI InChI=1S/C24H22N4O5/c1-33-21-8-3-2-7-16(21)19-12-17(18(13-25)23(26)28-19)14-5-4-6-15(11-14)27-24(32)20(29)9-10-22(30)31/h2-8,11-12,20,29H,9-10H2,1H3,(H2,26,28)(H,27,32)(H,30,31)/p-1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124325
(CHEMBL535359 | N-{3-[3-Cyano-2-hydroxy-6-(2-hydrox...)Show SMILES Oc1ccccc1-c1cc(-c2cccc(NC(=O)CCN3CCCCC3)c2)c(C#N)c(=O)[nH]1 Show InChI InChI=1S/C26H26N4O3/c27-17-22-21(16-23(29-26(22)33)20-9-2-3-10-24(20)31)18-7-6-8-19(15-18)28-25(32)11-14-30-12-4-1-5-13-30/h2-3,6-10,15-16,31H,1,4-5,11-14H2,(H,28,32)(H,29,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124311
(2-Amino-4-(4-dimethylamino-phenyl)-6-(2-hydroxy-ph...)Show InChI InChI=1S/C20H18N4O/c1-24(2)14-9-7-13(8-10-14)16-11-18(23-20(22)17(16)12-21)15-5-3-4-6-19(15)25/h3-11,25H,1-2H3,(H2,22,23) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124308
(CHEMBL173484 | N-{3-[2-Amino-3-cyano-6-(2-hydroxy-...)Show SMILES Nc1nc(cc(-c2cccc(NC(=O)CCN3CCCCC3)c2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C26H27N5O2/c27-17-22-21(16-23(30-26(22)28)20-9-2-3-10-24(20)32)18-7-6-8-19(15-18)29-25(33)11-14-31-12-4-1-5-13-31/h2-3,6-10,15-16,32H,1,4-5,11-14H2,(H2,28,30)(H,29,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of human Syk |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50124308
(CHEMBL173484 | N-{3-[2-Amino-3-cyano-6-(2-hydroxy-...)Show SMILES Nc1nc(cc(-c2cccc(NC(=O)CCN3CCCCC3)c2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C26H27N5O2/c27-17-22-21(16-23(30-26(22)28)20-9-2-3-10-24(20)32)18-7-6-8-19(15-18)29-25(33)11-14-31-12-4-1-5-13-31/h2-3,6-10,15-16,32H,1,4-5,11-14H2,(H2,28,30)(H,29,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-alpha kinase |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124318
(CHEMBL424000 | Sodium; 4-{3-[2-amino-3-cyano-6-(4-...)Show SMILES Nc1nc(cc(-c2cccc(NC(=O)C(O)CCC([O-])=O)c2)c1C#N)-c1ccc(O)cc1 Show InChI InChI=1S/C23H20N4O5/c24-12-18-17(11-19(27-22(18)25)13-4-6-16(28)7-5-13)14-2-1-3-15(10-14)26-23(32)20(29)8-9-21(30)31/h1-7,10-11,20,28-29H,8-9H2,(H2,25,27)(H,26,32)(H,30,31)/p-1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50124333
(CHEMBL171680 | Sodium; 4-{3-[2-amino-3-cyano-6-(2-...)Show SMILES Cc1cccc(O)c1-c1cc(-c2cccc(NC(=O)C(O)CCC([O-])=O)c2)c(C#N)c(N)n1 Show InChI InChI=1S/C24H22N4O5/c1-13-4-2-7-19(29)22(13)18-11-16(17(12-25)23(26)28-18)14-5-3-6-15(10-14)27-24(33)20(30)8-9-21(31)32/h2-7,10-11,20,29-30H,8-9H2,1H3,(H2,26,28)(H,27,33)(H,31,32)/p-1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta) |
Bioorg Med Chem Lett 13: 913-8 (2003)
BindingDB Entry DOI: 10.7270/Q2TM7BP1 |
More data for this
Ligand-Target Pair | |
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