Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM321991'   

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))	BDBM321991 ((E)-1-(4-((1-Methyl-1H-pyrazol-3-yl)methyl)piperaz...) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCN(Cc3ccn(C)n3)CC2)C(F)(F)F)n1 Show InChI InChI=1S/C22H25F3N8O/c1-16-26-29-33(27-16)14-18-13-19(22(23,24)25)5-3-17(18)4-6-21(34)32-11-9-31(10-12-32)15-20-7-8-30(2)28-20/h3-8,13H,9-12,14-15H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	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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