BDBM50011370 CHEMBL3261022

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

InChI Key: InChIKey=XJOKZFREXUVZMO-SVPADUAOSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50011370   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50011370 (CHEMBL3261022) Show SMILES [H][C@@]12[C@@H]([C@@H](C(C)C)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1cc(OC)c(OC)c(OC)c1 |r| Show InChI InChI=1S/C28H33NO5/c1-14(2)20-21(15-12-18(31-5)26(33-7)19(13-15)32-6)22-23-25(34-28(3,4)24(20)22)16-10-8-9-11-17(16)29-27(23)30/h8-14,20-22,24H,1-7H3,(H,29,30)/t20-,21-,22+,24+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	790	n/a	n/a	n/a	n/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