BDBM50322699 3-((4-((3-(4-fluorobenzyl)-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid::CHEMBL1172747

SMILES: OC(=O)c1cccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)c1

InChI Key: InChIKey=GKBVTPZOEBZVIA-XKZIYDEJSA-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 = 50322699   

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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50322699 (3-((4-((3-(4-fluorobenzyl)-2,4-dioxothiazolidin-5-...) Show SMILES OC(=O)c1cccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)c1 Show InChI InChI=1S/C25H18FNO5S/c26-20-8-4-17(5-9-20)14-27-23(28)22(33-25(27)31)13-16-6-10-21(11-7-16)32-15-18-2-1-3-19(12-18)24(29)30/h1-13H,14-15H2,(H,29,30)/b22-13-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as lysophosphatidulcholine release				J Med Chem 53: 4958-67 (2010) Article DOI: 10.1021/jm1005012 BindingDB Entry DOI: 10.7270/Q2G73DXK
					More data for this Ligand-Target Pair