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PubMed code 21936536

Compile data set for download or QSAR
Found 7 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


(Mus musculus)		BDBM50355889
PNG
(CHEMBL1910032)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC(CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC |r|
Show InChI InChI=1S/C50H95O20P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-41(53)63-33-37(67-42(54)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-66-71(61,62)70-38(34-64-49-47(59)45(57)43(55)39(31-51)68-49)35-65-50-48(60)46(58)44(56)40(32-52)69-50/h37-40,43-52,55-60H,3-36H2,1-2H3,(H,61,62)/t37-,39-,40-,43-,44-,45+,46+,47+,48+,49+,50+/m1/s1
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n/an/a 1.29E+4n/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced TLR4 activation in thioglycollate-elicited mouse peritoneal macrophages assessed as inhibition of IL-6 production after 18 ...

J Med Chem 54: 7268-79 (2011)


Article DOI: 10.1021/jm2008419
BindingDB Entry DOI: 10.7270/Q26973Z1
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Mus musculus)		BDBM50355886
PNG
(CHEMBL1910028)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C53H100NO22P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(57)54-35(33-70-39(58)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-71-77(68,69)76-51-49(74-52-47(66)42(61)40(59)36(31-55)72-52)45(64)44(63)46(65)50(51)75-53-48(67)43(62)41(60)37(32-56)73-53/h35-37,40-53,55-56,59-67H,3-34H2,1-2H3,(H,54,57)(H,68,69)/t35-,36-,37-,40-,41-,42+,43+,44-,45-,46+,47+,48+,49-,50-,51-,52-,53-/m1/s1
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n/an/a 2.27E+4n/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced TLR4 activation in thioglycollate-elicited mouse peritoneal macrophages assessed as inhibition of IL-6 production after 18 ...

J Med Chem 54: 7268-79 (2011)


Article DOI: 10.1021/jm2008419
BindingDB Entry DOI: 10.7270/Q26973Z1
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Mus musculus)		BDBM50355890
PNG
(CHEMBL1910033)
Show SMILES CCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OCCCCCCCCCCCCCCCC |r|
Show InChI InChI=1S/C53H103O21P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-67-35-37(68-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-69-75(65,66)74-51-49(72-52-47(63)42(58)40(56)38(33-54)70-52)45(61)44(60)46(62)50(51)73-53-48(64)43(59)41(57)39(34-55)71-53/h37-64H,3-36H2,1-2H3,(H,65,66)/t37-,38-,39-,40-,41-,42+,43+,44-,45-,46+,47+,48+,49-,50-,51-,52-,53-/m1/s1
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n/an/a 2.33E+4n/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced TLR4 activation in thioglycollate-elicited mouse peritoneal macrophages assessed as inhibition of IL-6 production after 18 ...

J Med Chem 54: 7268-79 (2011)


Article DOI: 10.1021/jm2008419
BindingDB Entry DOI: 10.7270/Q26973Z1
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Mus musculus)		BDBM50355887
PNG
(CHEMBL1910029)
Show SMILES CCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC |r|
Show InChI InChI=1S/C53H101O22P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-68-34-36(70-39(56)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)35-69-76(66,67)75-51-49(73-52-47(64)42(59)40(57)37(32-54)71-52)45(62)44(61)46(63)50(51)74-53-48(65)43(60)41(58)38(33-55)72-53/h36-38,40-55,57-65H,3-35H2,1-2H3,(H,66,67)/t36-,37-,38-,40-,41-,42+,43+,44-,45-,46+,47+,48+,49-,50-,51-,52-,53-/m1/s1
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n/an/a 2.88E+4n/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced TLR4 activation in thioglycollate-elicited mouse peritoneal macrophages assessed as inhibition of IL-6 production after 18 ...

J Med Chem 54: 7268-79 (2011)


Article DOI: 10.1021/jm2008419
BindingDB Entry DOI: 10.7270/Q26973Z1
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Mus musculus)		BDBM50355884
PNG
(CHEMBL1910026)
Show SMILES CCCCCCCCCCCCCCCCO[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C53H101O22P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-68-36(34-69-39(56)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)35-70-76(66,67)75-51-49(73-52-47(64)42(59)40(57)37(32-54)71-52)45(62)44(61)46(63)50(51)74-53-48(65)43(60)41(58)38(33-55)72-53/h36-38,40-55,57-65H,3-35H2,1-2H3,(H,66,67)/t36-,37-,38-,40-,41-,42+,43+,44-,45-,46+,47+,48+,49-,50-,51-,52-,53-/m1/s1
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n/an/a 3.03E+4n/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced TLR4 activation in thioglycollate-elicited mouse peritoneal macrophages assessed as inhibition of IL-6 production after 18 ...

J Med Chem 54: 7268-79 (2011)


Article DOI: 10.1021/jm2008419
BindingDB Entry DOI: 10.7270/Q26973Z1
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Mus musculus)		BDBM50355885
PNG
(CHEMBL1910027)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC |r|
Show InChI InChI=1S/C53H99O23P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(56)69-33-35(71-39(57)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-70-77(67,68)76-51-49(74-52-47(65)42(60)40(58)36(31-54)72-52)45(63)44(62)46(64)50(51)75-53-48(66)43(61)41(59)37(32-55)73-53/h35-37,40-55,58-66H,3-34H2,1-2H3,(H,67,68)/t35-,36-,37-,40-,41-,42+,43+,44-,45-,46+,47+,48+,49-,50-,51-,52-,53-/m1/s1
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n/an/a 4.02E+4n/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced TLR4 activation in thioglycollate-elicited mouse peritoneal macrophages assessed as inhibition of IL-6 production after 18 ...

J Med Chem 54: 7268-79 (2011)


Article DOI: 10.1021/jm2008419
BindingDB Entry DOI: 10.7270/Q26973Z1
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Mus musculus)		BDBM50355888
PNG
(CHEMBL1910031)
Show SMILES CCCCCCCCCCCCCCCCO[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OC(CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C50H97O19P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-62-38(34-63-42(53)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-66-70(60,61)69-39(35-64-49-47(58)45(56)43(54)40(32-51)67-49)36-65-50-48(59)46(57)44(55)41(33-52)68-50/h38-41,43-52,54-59H,3-37H2,1-2H3,(H,60,61)/t38-,40-,41-,43-,44-,45+,46+,47+,48+,49+,50+/m1/s1
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n/an/a 4.28E+4n/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced TLR4 activation in thioglycollate-elicited mouse peritoneal macrophages assessed as inhibition of IL-6 production after 18 ...

J Med Chem 54: 7268-79 (2011)


Article DOI: 10.1021/jm2008419
BindingDB Entry DOI: 10.7270/Q26973Z1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%