Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50501626'   

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))	BDBM50501626 (CHEMBL4072603) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C38H56Cl2N2O5/c1-23(30-5-6-31-35-32(9-13-38(30,31)3)37(2)12-8-29(43)18-26(37)19-33(35)44)4-7-34(45)41-21-24-10-14-42(15-11-24)36(46)47-22-25-16-27(39)20-28(40)17-25/h16-17,20,23-24,26,29-33,35,43-44H,4-15,18-19,21-22H2,1-3H3,(H,41,45)/t23-,26+,29-,30-,31+,32+,33+,35+,37+,38-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Netherlands Institute Curated by ChEMBL					Assay Description Inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in choline release from LPC measured every 30 secs for 90 mins by HVA b...				J Med Chem 60: 2006-2017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01743 BindingDB Entry DOI: 10.7270/Q22F7RGR
					More data for this Ligand-Target Pair