BDBM50338237 7-(1-(4-chloro-2-fluorobenzyl)piperidin-3-yl)-2-ureido-5,7-dihydro-4H-thieno[2,3-e]indazole-3-carboxamide::CHEMBL1681985
SMILES: NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCN(Cc3ccc(Cl)cc3F)C2)c1C(N)=O
InChI Key: InChIKey=LALWIFVAIZGAGQ-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)) | BDBM50338237![]() (7-(1-(4-chloro-2-fluorobenzyl)piperidin-3-yl)-2-ur...) | 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 | 500 | 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)) | BDBM50338237![]() (7-(1-(4-chloro-2-fluorobenzyl)piperidin-3-yl)-2-ur...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.10E+4 | 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 |