BDBM50322703 4-((2-methoxy-4-((3-(4-nitrobenzyl)-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid::CHEMBL1173630

SMILES: COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)[N+]([O-])=O)C2=O)ccc1OCc1ccc(cc1)C(O)=O

InChI Key: InChIKey=SKRJGQHXGJGZLB-QRVIBDJDSA-N

Data: 2 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 2 hits for monomerid = 50322703   

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))	BDBM50322703 (4-((2-methoxy-4-((3-(4-nitrobenzyl)-2,4-dioxothiaz...) Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)[N+]([O-])=O)C2=O)ccc1OCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C26H20N2O8S/c1-35-22-12-18(6-11-21(22)36-15-17-2-7-19(8-3-17)25(30)31)13-23-24(29)27(26(32)37-23)14-16-4-9-20(10-5-16)28(33)34/h2-13H,14-15H2,1H3,(H,30,31)/b23-13-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50322703 (4-((2-methoxy-4-((3-(4-nitrobenzyl)-2,4-dioxothiaz...) Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)[N+]([O-])=O)C2=O)ccc1OCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C26H20N2O8S/c1-35-22-12-18(6-11-21(22)36-15-17-2-7-19(8-3-17)25(30)31)13-23-24(29)27(26(32)37-23)14-16-4-9-20(10-5-16)28(33)34/h2-13H,14-15H2,1H3,(H,30,31)/b23-13-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	442	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 using bisP-nitrophenyl phosphate as a substrate				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