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SMILES: [H][C@@]12[C@@H]([C@@H](C3CC3)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1cc(OC)c(OC)c(OC)c1

InChI Key: InChIKey=HWHNPTUQTILZGI-SVPADUAOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50011380   
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))		BDBM50011380
PNG
(CHEMBL3261032)
Show SMILES [H][C@@]12[C@@H]([C@@H](C3CC3)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1cc(OC)c(OC)c(OC)c1 |r|
Show InChI InChI=1S/C28H31NO5/c1-28(2)24-21(14-10-11-14)20(15-12-18(31-3)26(33-5)19(13-15)32-4)22(24)23-25(34-28)16-8-6-7-9-17(16)29-27(23)30/h6-9,12-14,20-22,24H,10-11H2,1-5H3,(H,29,30)/t20-,21-,22+,24+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
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Similars
Article
PubMed
n/an/an/an/a 630n/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TLR4 expressed in HEK293 cells by SEAP reporter assay

J Med Chem 57: 1252-75 (2014)


Article DOI: 10.1021/jm401321v
BindingDB Entry DOI: 10.7270/Q2N01823
More data for this
Ligand-Target Pair