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PubMed code 18835160

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Toll-like receptor 4


(Homo sapiens (Human))		BDBM50275658
PNG
((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
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PubMed
n/an/a 2.40n/an/an/an/an/an/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
Toll-like receptor 4


(Homo sapiens (Human))		BDBM50275659
PNG
((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
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KEGG

UniProtKB/SwissProt

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Article
PubMed
n/an/a 5.30n/an/an/an/an/an/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
* indicates data uncertainty>20%