Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50316064'   

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))	BDBM50316064 (4-amino-6-((4'-((2,4-diamino-3-methyl-6-sulfopheny...) Show SMILES Cc1c(N)cc(c(N=Nc2ccc(cc2)-c2ccc(cc2)N=Nc2c(O)c3c(N)c(N=Nc4cccc(c4)[N+]([O-])=O)c(cc3cc2S(O)(=O)=O)S(O)(=O)=O)c1N)S(O)(=O)=O |w:7.6,30.31,21.22| Show InChI InChI=1S/C35H28N10O12S3/c1-17-25(36)16-28(60(55,56)57)32(30(17)37)42-39-21-9-5-18(6-10-21)19-7-11-22(12-8-19)40-44-34-27(59(52,53)54)14-20-13-26(58(49,50)51)33(31(38)29(20)35(34)46)43-41-23-3-2-4-24(15-23)45(47)48/h2-16,46H,36-38H2,1H3,(H,49,50,51)(H,52,53,54)(H,55,56,57)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+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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