BDBM50011379 CHEMBL3261031

SMILES: [H][C@@]12[C@@H]([C@@H](C3CC3)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(OC)c(OC)c1

InChI Key: InChIKey=JQBYQJNFXRPUGN-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 = 50011379   

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))	BDBM50011379 (CHEMBL3261031) Show SMILES [H][C@@]12[C@@H]([C@@H](C3CC3)[C@]1([H])C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C27H29NO4/c1-27(2)24-21(14-9-10-14)20(15-11-12-18(30-3)19(13-15)31-4)22(24)23-25(32-27)16-7-5-6-8-17(16)28-26(23)29/h5-8,11-14,20-22,24H,9-10H2,1-4H3,(H,28,29)/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	630	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