Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Toll-like receptor 4' and Ligand = 'BDBM50275659'   

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))	BDBM50275659 ((S)-2-((R)-3-(hexyloxy)tetradecanamido)-3-((2R,3R,...) 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)OCCCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCC)C(O)=O)OCCCCCC |r| Show InChI InChI=1S/C69H133N2O16P/c1-7-13-19-25-28-31-34-37-40-46-57(81-49-43-22-16-10-4)52-62(73)70-60(68(76)77)56-84-69-65(71-63(74)53-58(82-50-44-23-17-11-5)47-41-38-35-32-29-26-20-14-8-2)67(66(61(55-72)85-69)87-88(78,79)80)86-64(75)54-59(83-51-45-24-18-12-6)48-42-39-36-33-30-27-21-15-9-3/h57-61,65-67,69,72H,7-56H2,1-6H3,(H,70,73)(H,71,74)(H,76,77)(H2,78,79,80)/t57-,58-,59-,60+,61-,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	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
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