Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM322013'   

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))	BDBM322013 ((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...) Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCC(CC2)c2nnc(CC3CCOCC3)o2)n1 Show InChI InChI=1S/C25H30ClN7O3/c1-17-27-31-33(30-17)16-21-15-22(26)4-2-19(21)3-5-24(34)32-10-6-20(7-11-32)25-29-28-23(36-25)14-18-8-12-35-13-9-18/h2-5,15,18,20H,6-14,16H2,1H3/b5-3+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
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