Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM322017'   

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))	BDBM322017 ((R,E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)me...) Show SMILES C[C@@H]1CN(Cc2nc(C)no2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1 |r| Show InChI InChI=1S/C21H25ClN8O2/c1-14-11-28(13-20-23-15(2)26-32-20)8-9-29(14)21(31)7-5-17-4-6-19(22)10-18(17)12-30-25-16(3)24-27-30/h4-7,10,14H,8-9,11-13H2,1-3H3/b7-5+/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	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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