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SMILES: [H][C@]12Oc3c4c(C[C@]5([H])N(CCCCCC)CC[C@]14[C@]5(O)CCC2=O)ccc3O

InChI Key: InChIKey=CJWHPXAQKRXKBC-UPZYVNNASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50089801   
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


(Mus musculus)		BDBM50089801
PNG
(CHEMBL3577587)
Show SMILES [H][C@]12Oc3c4c(C[C@]5([H])N(CCCCCC)CC[C@]14[C@]5(O)CCC2=O)ccc3O |r,THB:10:9:19:4.5.6|
Show InChI InChI=1S/C22H29NO4/c1-2-3-4-5-11-23-12-10-21-18-14-6-7-15(24)19(18)27-20(21)16(25)8-9-22(21,26)17(23)13-14/h6-7,17,20,24,26H,2-5,8-13H2,1H3/t17-,20+,21+,22-/m0/s1
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Similars
Article
PubMed
n/an/a 6.70E+3n/an/an/an/an/an/a



National Institute of Health

Curated by ChEMBL


Assay Description
Antagonist activity against TLR4 in mouse BV2 cells assessed as inhibition of LPS-induced nitric oxide production incubated for 24 hrs by 2,3-diamino...

J Med Chem 58: 5038-52 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00426
BindingDB Entry DOI: 10.7270/Q20K2B9D
More data for this
Ligand-Target Pair