Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50257812'   

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))	BDBM50257812 (CHEMBL4096556) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc-2c(Cc3cc(F)ccc-23)s1)C1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H28FN5O2S2/c1-4-21-25(30(2)26-29-24-20-7-6-19(27)13-18(20)14-22(24)35-26)32-15-17(5-8-23(32)28-21)16-9-11-31(12-10-16)36(3,33)34/h5-8,13,15-16H,4,9-12,14H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France. Curated by ChEMBL					Assay Description Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay				J Med Chem 60: 7371-7392 (2017) Article DOI: 10.1021/acs.jmedchem.7b00647 BindingDB Entry DOI: 10.7270/Q2R213VZ
					More data for this Ligand-Target Pair