Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50542070'   

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))	BDBM50542070 (CHEMBL4634784) Show SMILES CC(C)(CCCC(=O)N1CCc2c(C1)n(Cc1cccc(F)c1)c1ncccc21)C(O)=O Show InChI InChI=1S/C25H28FN3O3/c1-25(2,24(31)32)11-4-9-22(30)28-13-10-19-20-8-5-12-27-23(20)29(21(19)16-28)15-17-6-3-7-18(26)14-17/h3,5-8,12,14H,4,9-11,13,15-16H2,1-2H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50542070 (CHEMBL4634784) Show SMILES CC(C)(CCCC(=O)N1CCc2c(C1)n(Cc1cccc(F)c1)c1ncccc21)C(O)=O Show InChI InChI=1S/C25H28FN3O3/c1-25(2,24(31)32)11-4-9-22(30)28-13-10-19-20-8-5-12-27-23(20)29(21(19)16-28)15-17-6-3-7-18(26)14-17/h3,5-8,12,14H,4,9-11,13,15-16H2,1-2H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of LysoPLD activity of ATX in human plasma 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