Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM321956'   

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))	BDBM321956 ((R,E)-tert-Butyl 2-(3-methyl-4-(3-(2-((5-methyl-2H...) Show SMILES C[C@@H]1CN(CC(=O)OC(C)(C)C)CCN1C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F |r| Show InChI InChI=1S/C24H31F3N6O3/c1-16-13-31(15-22(35)36-23(3,4)5)10-11-32(16)21(34)9-7-18-6-8-20(24(25,26)27)12-19(18)14-33-29-17(2)28-30-33/h6-9,12,16H,10-11,13-15H2,1-5H3/b9-7+/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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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