Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Toll-like receptor 4' and Ligand = 'BDBM50275658'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50275658 ((S)-2-((R)-3-(hexanoyloxy)tetradecanamido)-3-((2R,...) Show 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)OC(=O)CCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCC)C(O)=O)OC(=O)CCCCC |r| Show InChI InChI=1S/C69H127N2O19P/c1-7-13-19-22-25-28-31-34-40-43-54(85-61(75)46-37-16-10-4)49-59(73)70-57(68(79)80)53-84-69-65(71-60(74)50-55(86-62(76)47-38-17-11-5)44-41-35-32-29-26-23-20-14-8-2)67(66(58(52-72)88-69)90-91(81,82)83)89-64(78)51-56(87-63(77)48-39-18-12-6)45-42-36-33-30-27-24-21-15-9-3/h54-58,65-67,69,72H,7-53H2,1-6H3,(H,70,73)(H,71,74)(H,79,80)(H2,81,82,83)/t54-,55-,56-,57+,58-,65-,66-,67-,69-/m1/s1	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	2.40	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
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