Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM321986'   

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))	BDBM321986 ((E)-2-Methoxy-N-methyl-N-(1-(3-(2-((5-methyl-2H-te...) Show SMILES COCC(=O)N(C)C1CCN(CC1)C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F Show InChI InChI=1S/C22H27F3N6O3/c1-15-26-28-31(27-15)13-17-12-18(22(23,24)25)6-4-16(17)5-7-20(32)30-10-8-19(9-11-30)29(2)21(33)14-34-3/h4-7,12,19H,8-11,13-14H2,1-3H3/b7-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.10	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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