BDBM50141497 (E)-3-(3,4-Difluoro-phenyl)-1-(2-methoxy-4-thiophen-2-yl-phenyl)-propenone::CHEMBL40731

SMILES: COc1cc(ccc1C(=O)\C=C\c1ccc(F)c(F)c1)-c1cccs1

InChI Key: InChIKey=RLESQWOIXPUREQ-WEVVVXLNSA-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 = 50141497   

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))	BDBM50141497 ((E)-3-(3,4-Difluoro-phenyl)-1-(2-methoxy-4-thiophe...) Show SMILES COc1cc(ccc1C(=O)\C=C\c1ccc(F)c(F)c1)-c1cccs1 Show InChI InChI=1S/C20H14F2O2S/c1-24-19-12-14(20-3-2-10-25-20)6-7-15(19)18(23)9-5-13-4-8-16(21)17(22)11-13/h2-12H,1H3/b9-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.00E+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