BDBM50141477 CHEMBL39656::{2,6-Dimethoxy-4-[(E)-3-(2-methoxy-5-thiophen-2-yl-phenyl)-acryloyl]-phenoxy}-acetic acid

SMILES: COc1ccc(cc1\C=C\C(=O)c1cc(OC)c(OCC(O)=O)c(OC)c1)-c1cccs1

InChI Key: InChIKey=JNJIZJBHTNTRPN-SOFGYWHQSA-N

Data: 1 IC50

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 = 50141477   

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
Tumor necrosis factor receptor R1 (Homo sapiens (Human))	BDBM50141477 (CHEMBL39656 | {2,6-Dimethoxy-4-[(E)-3-(2-methoxy-5...) Show SMILES COc1ccc(cc1\C=C\C(=O)c1cc(OC)c(OCC(O)=O)c(OC)c1)-c1cccs1 Show InChI InChI=1S/C24H22O7S/c1-28-19-9-7-16(22-5-4-10-32-22)11-15(19)6-8-18(25)17-12-20(29-2)24(21(13-17)30-3)31-14-23(26)27/h4-13H,14H2,1-3H3,(H,26,27)/b8-6+	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AtheroGenics, Inc. Curated by ChEMBL					Assay Description Inhibition of TNF-alpha-induced VCAM-1 expression				Bioorg Med Chem Lett 14: 1513-7 (2004) Article DOI: 10.1016/j.bmcl.2004.01.021 BindingDB Entry DOI: 10.7270/Q2028QZK
					More data for this Ligand-Target Pair