Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50439707'   

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))	BDBM50439707 (CHEMBL2418935) Show SMILES CC(O)C(NC(=O)c1ccc(nc1)N1CCC(CCCC2CCN(CC2)C(=O)Cc2cc(C)cc(C)c2)CC1)C(N)=O Show InChI InChI=1S/C33H47N5O4/c1-22-17-23(2)19-27(18-22)20-30(40)38-15-11-26(12-16-38)6-4-5-25-9-13-37(14-10-25)29-8-7-28(21-35-29)33(42)36-31(24(3)39)32(34)41/h7-8,17-19,21,24-26,31,39H,4-6,9-16,20H2,1-3H3,(H2,34,41)(H,36,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.79E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Competitive inhibition of C-terminal FLAG-tagged human recombinant autotaxin using synthetic substrate FS-3 by Michaelis-Menten equation analysis				Bioorg Med Chem 21: 5548-60 (2013) Article DOI: 10.1016/j.bmc.2013.05.061 BindingDB Entry DOI: 10.7270/Q2SF2XKS
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50439707 (CHEMBL2418935) Show SMILES CC(O)C(NC(=O)c1ccc(nc1)N1CCC(CCCC2CCN(CC2)C(=O)Cc2cc(C)cc(C)c2)CC1)C(N)=O Show InChI InChI=1S/C33H47N5O4/c1-22-17-23(2)19-27(18-22)20-30(40)38-15-11-26(12-16-38)6-4-5-25-9-13-37(14-10-25)29-8-7-28(21-35-29)33(42)36-31(24(3)39)32(34)41/h7-8,17-19,21,24-26,31,39H,4-6,9-16,20H2,1-3H3,(H2,34,41)(H,36,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG-tagged human recombinant autotaxin using synthetic substrate FS-3 measured every 2 mins by FRET assay				Bioorg Med Chem 21: 5548-60 (2013) Article DOI: 10.1016/j.bmc.2013.05.061 BindingDB Entry DOI: 10.7270/Q2SF2XKS
					More data for this Ligand-Target Pair