BDBM50138393 (4-Nitro-phenyl)-{4-[4-(piperazine-1-sulfonyl)-phenyl]-pyrimidin-2-yl}-amine::CHEMBL334758
SMILES: [O-][N+](=O)c1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1
InChI Key: InChIKey=POBJRIPOMSIISZ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50138393 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)) | BDBM50138393
((4-Nitro-phenyl)-{4-[4-(piperazine-1-sulfonyl)-phe...)Show SMILES [O-][N+](=O)c1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1 Show InChI InChI=1S/C20H20N6O4S/c27-26(28)17-5-3-16(4-6-17)23-20-22-10-9-19(24-20)15-1-7-18(8-2-15)31(29,30)25-13-11-21-12-14-25/h1-10,21H,11-14H2,(H,22,23,24) | 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 | 66 | 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)) | BDBM50138393
((4-Nitro-phenyl)-{4-[4-(piperazine-1-sulfonyl)-phe...)Show SMILES [O-][N+](=O)c1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1 Show InChI InChI=1S/C20H20N6O4S/c27-26(28)17-5-3-16(4-6-17)23-20-22-10-9-19(24-20)15-1-7-18(8-2-15)31(29,30)25-13-11-21-12-14-25/h1-10,21H,11-14H2,(H,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.92E+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 | |
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