BDBM50338240 7-(1-(2-fluoro-4-methoxybenzyl)piperidin-3-yl)-2-ureido-5,7-dihydro-4H-thieno[2,3-e]indazole-3-carboxamide::CHEMBL1681990
SMILES: COc1ccc(CN2CCCC(C2)n2cc-3c(CCc4c-3sc(NC(N)=O)c4C(N)=O)n2)c(F)c1
InChI Key: InChIKey=VVKXYKWOSXQDEZ-UHFFFAOYSA-N
Data: 2 IC50
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)) | BDBM50338240![]() (7-(1-(2-fluoro-4-methoxybenzyl)piperidin-3-yl)-2-u...) | 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 | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL | Assay Description Inhibition of human IKK-beta by substrate phosphorylation assay | Bioorg Med Chem Lett 21: 1758-62 (2011) Article DOI: 10.1016/j.bmcl.2011.01.069 BindingDB Entry DOI: 10.7270/Q2TX3FPV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human)) | BDBM50338240![]() (7-(1-(2-fluoro-4-methoxybenzyl)piperidin-3-yl)-2-u...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL | Assay Description Inhibition of human IKK-alpha by substrate phosphorylation assay | Bioorg Med Chem Lett 21: 1758-62 (2011) Article DOI: 10.1016/j.bmcl.2011.01.069 BindingDB Entry DOI: 10.7270/Q2TX3FPV | |||||||||||
More data for this Ligand-Target Pair |