BDBM50275659 (S)-2-((R)-3-(hexyloxy)tetradecanamido)-3-((2R,3R,4R,5S,6R)-3-((R)-3-(hexyloxy)tetradecanamido)-4-((R)-3-(hexyloxy)tetradecanoyloxy)-6-(hydroxymethyl)-5-(phosphonooxy)tetrahydro-2H-pyran-2-yloxy)propanoic acid::CHEMBL501231
SMILES: CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCC)C(O)=O)OCCCCCC
InChI Key: InChIKey=SPDGRZAREUGVDZ-FYWAMUSJSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Toll-like receptor 4 (Homo sapiens (Human)) | BDBM50275659 ((S)-2-((R)-3-(hexyloxy)tetradecanamido)-3-((2R,3R,...) | PDB MMDB 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 | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Biologicals Curated by ChEMBL | Assay Description Antagonist activity at TLR4 in human PBMC assessed as inhibition of LPS-stimulated TNFalpha production preincubated for 30 mins before LPS challenge ... | Bioorg Med Chem Lett 18: 5350-4 (2008) Article DOI: 10.1016/j.bmcl.2008.09.060 BindingDB Entry DOI: 10.7270/Q2DB81P6 | |||||||||||
More data for this Ligand-Target Pair |