Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50535213'   

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))	BDBM50535213 (CHEMBL4453084) Show SMILES O=C(CCCCc1c[nH]nn1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1 Show InChI InChI=1S/C23H27N7O/c31-22(8-4-3-7-19-14-25-29-28-19)30-10-9-21-18(15-30)13-24-23(27-21)26-20-11-16-5-1-2-6-17(16)12-20/h1-2,5-6,13-14,20H,3-4,7-12,15H2,(H,24,26,27)(H,25,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His-tagged autotaxin expressed in human 293E cells assessed as choline release using lysophosp...				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535213 (CHEMBL4453084) Show SMILES O=C(CCCCc1c[nH]nn1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1 Show InChI InChI=1S/C23H27N7O/c31-22(8-4-3-7-19-14-25-29-28-19)30-10-9-21-18(15-30)13-24-23(27-21)26-20-11-16-5-1-2-6-17(16)12-20/h1-2,5-6,13-14,20H,3-4,7-12,15H2,(H,24,26,27)(H,25,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of autotaxin in healthy human plasma assessed as reduction in LPA level after 3 hrs by mass spectrometric analysis				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair