BDBM50141488 (E)-1-(2,2-Dihydroxy-benzo[1,3]dioxol-5-yl)-3-(3,4-dimethoxy-5-thiophen-2-yl-phenyl)-propenone::CHEMBL39798

SMILES: COc1cc(\C=C\C(=O)c2ccc3OC(O)(O)Oc3c2)cc(-c2cccs2)c1OC

InChI Key: InChIKey=FXAIBAOPZFCJOK-FNORWQNLSA-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 = 50141488   

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))	BDBM50141488 ((E)-1-(2,2-Dihydroxy-benzo[1,3]dioxol-5-yl)-3-(3,4...) Show SMILES COc1cc(\C=C\C(=O)c2ccc3OC(O)(O)Oc3c2)cc(-c2cccs2)c1OC Show InChI InChI=1S/C22H18O7S/c1-26-19-11-13(10-15(21(19)27-2)20-4-3-9-30-20)5-7-16(23)14-6-8-17-18(12-14)29-22(24,25)28-17/h3-12,24-25H,1-2H3/b7-5+	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