BDBM50011392 CHEMBL3261249

SMILES: [H][C@@]12[C@@H]([C@@H](CC)[C@]1([H])C(C)(C)Oc1c2c(=O)n(C)c2ccc(C)cc12)c1cc(OC)c(OC)c(OC)c1

InChI Key: InChIKey=YXLUFPPQHOZAGP-JCMRRDKTSA-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 = 50011392   

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))	BDBM50011392 (CHEMBL3261249) Show SMILES [H][C@@]12[C@@H]([C@@H](CC)[C@]1([H])C(C)(C)Oc1c2c(=O)n(C)c2ccc(C)cc12)c1cc(OC)c(OC)c(OC)c1 |r| Show InChI InChI=1S/C29H35NO5/c1-9-17-22(16-13-20(32-6)27(34-8)21(14-16)33-7)23-24-26(35-29(3,4)25(17)23)18-12-15(2)10-11-19(18)30(5)28(24)31/h10-14,17,22-23,25H,9H2,1-8H3/t17-,22-,23+,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.10E+3	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