Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM321954'   

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))	BDBM321954 ((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...) Show SMILES Cc1csc(n1)C(O)C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1 Show InChI InChI=1S/C22H25ClN6O2S/c1-14-13-32-22(24-14)21(31)17-7-9-28(10-8-17)20(30)6-4-16-3-5-19(23)11-18(16)12-29-26-15(2)25-27-29/h3-6,11,13,17,21,31H,7-10,12H2,1-2H3/b6-4+	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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