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BDBM50028262 CHEMBL3354640

SMILES: [H][C@]1(O[C@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@H]2NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O[C@H](COP(O)(O)=O)[C@@H](OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)[C@H](O)[C@@H]1OC

InChI Key: InChIKey=XWBFZOHZYCQKSC-WWANDTCUSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50028262   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Toll-like receptor 4


(Homo sapiens (Human))		BDBM50028262
PNG
(CHEMBL3354640)
Show SMILES [H][C@]1(O[C@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@H]2NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O[C@H](COP(O)(O)=O)[C@@H](OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)[C@H](O)[C@@H]1OC |r|
Show InChI InChI=1S/C91H171NO25P2/c1-8-14-20-26-32-37-38-43-49-55-61-67-81(97)111-75(64-58-52-47-41-35-29-23-17-11-4)70-83(99)115-88-84(92-78(94)68-73(62-56-50-45-39-33-27-21-15-9-2)109-79(95)65-60-54-48-42-36-30-24-18-12-5)90(112-76(71-93)87(88)117-119(104,105)106)116-91-89(107-7)85(100)86(77(113-91)72-108-118(101,102)103)114-82(98)69-74(63-57-51-46-40-34-28-22-16-10-3)110-80(96)66-59-53-44-31-25-19-13-6/h73-77,84-91,93,100H,8-72H2,1-7H3,(H,92,94)(H2,101,102,103)(H2,104,105,106)/t73-,74+,75-,76-,77-,84-,85+,86-,87-,88-,89+,90-,91-/m1/s1
PDB
MMDB

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Article
PubMed
n/an/an/an/a 0.0800n/an/an/an/a



University of Natural Resources and Life Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human TLR4 expressed in HEK293 cells coexpressed with human MD2/CD14 assessed as activation of NFkappaB signaling after 20 to 24 ...

J Med Chem 57: 8056-71 (2014)


Article DOI: 10.1021/jm500946r
BindingDB Entry DOI: 10.7270/Q2V69M5J
More data for this
Ligand-Target Pair