BDBM50141495 CHEMBL37662::[4-Benzo[b]thiophen-2-yl-5-methoxy-2-((E)-3-oxo-3-phenyl-propenyl)-phenoxy]-acetic acid

SMILES: COc1cc(OCC(O)=O)c(\C=C\C(=O)c2ccccc2)cc1-c1cc2ccccc2s1

InChI Key: InChIKey=RILPARQSVNOCMD-VAWYXSNFSA-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 = 50141495   

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))	BDBM50141495 (CHEMBL37662 | [4-Benzo[b]thiophen-2-yl-5-methoxy-2...) Show SMILES COc1cc(OCC(O)=O)c(\C=C\C(=O)c2ccccc2)cc1-c1cc2ccccc2s1 Show InChI InChI=1S/C26H20O5S/c1-30-23-15-22(31-16-26(28)29)18(11-12-21(27)17-7-3-2-4-8-17)13-20(23)25-14-19-9-5-6-10-24(19)32-25/h2-15H,16H2,1H3,(H,28,29)/b12-11+	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