BDBM50138380 1-(4-{4-[4-(Piperazine-1-sulfonyl)-phenyl]-pyrimidin-2-ylamino}-phenyl)-ethanone::CHEMBL424069
SMILES: CC(=O)c1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1
InChI Key: InChIKey=AKBFRMUPYJQUON-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50138380 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)) | BDBM50138380
(1-(4-{4-[4-(Piperazine-1-sulfonyl)-phenyl]-pyrimid...)Show SMILES CC(=O)c1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1 Show InChI InChI=1S/C22H23N5O3S/c1-16(28)17-2-6-19(7-3-17)25-22-24-11-10-21(26-22)18-4-8-20(9-5-18)31(29,30)27-14-12-23-13-15-27/h2-11,23H,12-15H2,1H3,(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
| PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibitory activity against IKK2 |
Bioorg Med Chem Lett 14: 409-12 (2003)
BindingDB Entry DOI: 10.7270/Q2WQ036V |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50138380
(1-(4-{4-[4-(Piperazine-1-sulfonyl)-phenyl]-pyrimid...)Show SMILES CC(=O)c1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1 Show InChI InChI=1S/C22H23N5O3S/c1-16(28)17-2-6-19(7-3-17)25-22-24-11-10-21(26-22)18-4-8-20(9-5-18)31(29,30)27-14-12-23-13-15-27/h2-11,23H,12-15H2,1H3,(H,24,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibitory activity against IKK1 |
Bioorg Med Chem Lett 14: 409-12 (2003)
BindingDB Entry DOI: 10.7270/Q2WQ036V |
More data for this Ligand-Target Pair | |