BDBM50149837 2-Amino-6-(2-hydroxy-6-isobutoxy-phenyl)-1'',2'',3'',4'',5'',6''-hexahydro-[4,4'']bipyridinyl-3-carbonitrile::CHEMBL181434
SMILES: CC(C)COc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1
InChI Key: InChIKey=OGFMKWLVMNSGRN-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50149837 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)) | BDBM50149837
(2-Amino-6-(2-hydroxy-6-isobutoxy-phenyl)-1'',2'',3...)Show SMILES CC(C)COc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1 Show InChI InChI=1S/C21H26N4O2/c1-13(2)12-27-19-5-3-4-18(26)20(19)17-10-15(14-6-8-24-9-7-14)16(11-22)21(23)25-17/h3-5,10,13-14,24,26H,6-9,12H2,1-2H3,(H2,23,25) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human IKKbeta using GST-IkappaBalpha as substrate |
Eur J Med Chem 63: 269-78 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.045 BindingDB Entry DOI: 10.7270/Q2XG9SHG |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50149837
(2-Amino-6-(2-hydroxy-6-isobutoxy-phenyl)-1'',2'',3...)Show SMILES CC(C)COc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1 Show InChI InChI=1S/C21H26N4O2/c1-13(2)12-27-19-5-3-4-18(26)20(19)17-10-15(14-6-8-24-9-7-14)16(11-22)21(23)25-17/h3-5,10,13-14,24,26H,6-9,12H2,1-2H3,(H2,23,25) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta) |
Bioorg Med Chem Lett 14: 4019-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.041 BindingDB Entry DOI: 10.7270/Q2JM293M |
More data for this Ligand-Target Pair | |