Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50316085'   

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))	BDBM50316085 (4-amino-3-((4'-((1-amino-5-sulfonaphthalen-2-yl)di...) Show SMILES Nc1c(ccc2c(cccc12)S(O)(=O)=O)N=Nc1ccc(cc1)-c1ccc(cc1)N=Nc1c(N)c2c(O)c(N=Nc3ccccc3)c(cc2cc1S(O)(=O)=O)S(O)(=O)=O |w:16.18,29.32,38.41| Show InChI InChI=1S/C38H28N8O10S3/c39-34-28-7-4-8-30(57(48,49)50)27(28)17-18-29(34)44-41-25-13-9-21(10-14-25)22-11-15-26(16-12-22)43-45-36-31(58(51,52)53)19-23-20-32(59(54,55)56)37(38(47)33(23)35(36)40)46-42-24-5-2-1-3-6-24/h1-20,47H,39-40H2,(H,48,49,50)(H,51,52,53)(H,54,55,56)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis				J Med Chem 53: 3095-105 (2010) Article DOI: 10.1021/jm901718z BindingDB Entry DOI: 10.7270/Q2QZ2BXS
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