Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50542072'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50542072 (CHEMBL4645794) Show SMILES OC(=O)c1ccc(CC(=O)N2CCc3c(C2)n(Cc2cccc(F)c2)c2ncccc32)cc1 Show InChI InChI=1S/C26H22FN3O3/c27-20-4-1-3-18(13-20)15-30-23-16-29(12-10-21(23)22-5-2-11-28-25(22)30)24(31)14-17-6-8-19(9-7-17)26(32)33/h1-9,11,13H,10,12,14-16H2,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human ATX assessed as reduction in choline release using LPC(16:0) as substrate incubated for 15 hrs				ACS Med Chem Lett 11: 1335-1341 (2020) Article DOI: 10.1021/acsmedchemlett.0c00200 BindingDB Entry DOI: 10.7270/Q2DB85D8
					More data for this Ligand-Target Pair