BDBM50322727 4-[(4-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan-5-yliden]-methyl}phenoxy)methyl]benzeneboronic Acid::CHEMBL1173671

SMILES: OB(O)c1ccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1

InChI Key: InChIKey=BRWUZCBSWABPMR-XKZIYDEJSA-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 = 50322727   

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))	BDBM50322727 (4-[(4-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan...) Show SMILES OB(O)c1ccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1 Show InChI InChI=1S/C24H19BFNO5S/c26-20-9-3-17(4-10-20)14-27-23(28)22(33-24(27)29)13-16-5-11-21(12-6-16)32-15-18-1-7-19(8-2-18)25(30)31/h1-13,30-31H,14-15H2/b22-13-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
The Netherlands Cancer Institute Curated by ChEMBL					Assay Description Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substr...				J Med Chem 54: 4619-26 (2011) Article DOI: 10.1021/jm200310q BindingDB Entry DOI: 10.7270/Q2GT5NJ5
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50322727 (4-[(4-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan...) Show SMILES OB(O)c1ccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1 Show InChI InChI=1S/C24H19BFNO5S/c26-20-9-3-17(4-10-20)14-27-23(28)22(33-24(27)29)13-16-5-11-21(12-6-16)32-15-18-1-7-19(8-2-18)25(30)31/h1-13,30-31H,14-15H2/b22-13-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	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