Found 7 hits for monomerid = 50175694 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50175694
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)Show SMILES O=C(N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1 Show InChI InChI=1S/C23H20N4OS/c28-22(27-13-3-4-14-27)16-7-9-18(10-8-16)25-23-24-12-11-19(26-23)21-15-17-5-1-2-6-20(17)29-21/h1-2,5-12,15H,3-4,13-14H2,(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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibitory activity against IKK2 |
Bioorg Med Chem Lett 16: 108-12 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.035 BindingDB Entry DOI: 10.7270/Q2BR8RQV |
More data for this Ligand-Target Pair | |
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator
(Homo sapiens (Human)) | BDBM50175694
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)Show SMILES O=C(N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1 Show InChI InChI=1S/C23H20N4OS/c28-22(27-13-3-4-14-27)16-7-9-18(10-8-16)25-23-24-12-11-19(26-23)21-15-17-5-1-2-6-20(17)29-21/h1-2,5-12,15H,3-4,13-14H2,(H,24,25,26) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibitory activity against IKK complex isolated from HeLa cells |
Bioorg Med Chem Lett 16: 108-12 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.035 BindingDB Entry DOI: 10.7270/Q2BR8RQV |
More data for this Ligand-Target Pair | |
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator
(Homo sapiens (Human)) | BDBM50175694
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)Show SMILES O=C(N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1 Show InChI InChI=1S/C23H20N4OS/c28-22(27-13-3-4-14-27)16-7-9-18(10-8-16)25-23-24-12-11-19(26-23)21-15-17-5-1-2-6-20(17)29-21/h1-2,5-12,15H,3-4,13-14H2,(H,24,25,26) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of TNF-alpha-stimulated expression of VCAM1 in HUVEC cells |
Bioorg Med Chem Lett 16: 108-12 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.035 BindingDB Entry DOI: 10.7270/Q2BR8RQV |
More data for this Ligand-Target Pair | |
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator
(Homo sapiens (Human)) | BDBM50175694
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)Show SMILES O=C(N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1 Show InChI InChI=1S/C23H20N4OS/c28-22(27-13-3-4-14-27)16-7-9-18(10-8-16)25-23-24-12-11-19(26-23)21-15-17-5-1-2-6-20(17)29-21/h1-2,5-12,15H,3-4,13-14H2,(H,24,25,26) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of TNF-alpha-stimulated expression of ICAM1 in HUVEC cells |
Bioorg Med Chem Lett 16: 108-12 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.035 BindingDB Entry DOI: 10.7270/Q2BR8RQV |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50175694
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)Show SMILES O=C(N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1 Show InChI InChI=1S/C23H20N4OS/c28-22(27-13-3-4-14-27)16-7-9-18(10-8-16)25-23-24-12-11-19(26-23)21-15-17-5-1-2-6-20(17)29-21/h1-2,5-12,15H,3-4,13-14H2,(H,24,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibitory activity against IKK1 |
Bioorg Med Chem Lett 16: 108-12 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.035 BindingDB Entry DOI: 10.7270/Q2BR8RQV |
More data for this Ligand-Target Pair | |
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator
(Homo sapiens (Human)) | BDBM50175694
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)Show SMILES O=C(N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1 Show InChI InChI=1S/C23H20N4OS/c28-22(27-13-3-4-14-27)16-7-9-18(10-8-16)25-23-24-12-11-19(26-23)21-15-17-5-1-2-6-20(17)29-21/h1-2,5-12,15H,3-4,13-14H2,(H,24,25,26) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of TNF-alpha-stimulated IkappaBalpha degradation |
Bioorg Med Chem Lett 16: 108-12 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.035 BindingDB Entry DOI: 10.7270/Q2BR8RQV |
More data for this Ligand-Target Pair | |
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator
(Homo sapiens (Human)) | BDBM50175694
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)Show SMILES O=C(N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1 Show InChI InChI=1S/C23H20N4OS/c28-22(27-13-3-4-14-27)16-7-9-18(10-8-16)25-23-24-12-11-19(26-23)21-15-17-5-1-2-6-20(17)29-21/h1-2,5-12,15H,3-4,13-14H2,(H,24,25,26) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of TNF-alpha-stimulated expression of E-selectin in HUVEC cells |
Bioorg Med Chem Lett 16: 108-12 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.035 BindingDB Entry DOI: 10.7270/Q2BR8RQV |
More data for this Ligand-Target Pair | |