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BDBM50028263 CHEMBL3354641

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](CO)[C@@H](OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](O)[C@@H]1OC

InChI Key: InChIKey=RQHFYFFOUMTMEV-QJHQUMTCSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50028263   
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))		BDBM50028263
PNG
(CHEMBL3354641)
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](CO)[C@@H](OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](O)[C@@H]1OC |r|
Show InChI InChI=1S/C93H174NO22P/c1-8-14-20-26-32-38-39-45-51-57-63-69-83(100)110-77(66-60-54-48-42-35-29-23-17-11-4)72-85(102)114-90-86(94-80(97)70-75(64-58-52-46-40-33-27-21-15-9-2)108-81(98)67-61-55-49-43-36-30-24-18-12-5)92(111-79(74-96)89(90)116-117(104,105)106)115-93-91(107-7)87(103)88(78(73-95)112-93)113-84(101)71-76(65-59-53-47-41-34-28-22-16-10-3)109-82(99)68-62-56-50-44-37-31-25-19-13-6/h75-79,86-93,95-96,103H,8-74H2,1-7H3,(H,94,97)(H2,104,105,106)/t75-,76+,77-,78-,79-,86-,87+,88-,89-,90-,91+,92-,93-/m1/s1
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Article
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n/an/an/an/a 31n/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