BDBM50347714 CHEMBL1802469

SMILES: OB(O)c1ccc(CNC(=O)c2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1

InChI Key: InChIKey=JXQNZRGLKNWQQB-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 = 50347714   

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))	BDBM50347714 (CHEMBL1802469) Show SMILES OB(O)c1ccc(CNC(=O)c2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1 Show InChI InChI=1S/C25H20BFN2O5S/c27-21-11-5-18(6-12-21)15-29-24(31)22(35-25(29)32)13-16-1-7-19(8-2-16)23(30)28-14-17-3-9-20(10-4-17)26(33)34/h1-13,33-34H,14-15H2,(H,28,30)/b22-13-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	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