Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 1' and Ligand = 'BDBM50307249'   

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 1 (Homo sapiens (Human))	BDBM50307249 (CHEMBL4167667) Show SMILES COc1cc2nc(\C=C\c3cccc(F)c3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Show InChI InChI=1S/C25H30FN5O4S/c1-34-22-15-20-21(16-23(22)35-2)29-24(7-6-18-4-3-5-19(26)14-18)30-25(20)31-12-9-17(10-13-31)8-11-28-36(27,32)33/h3-7,14-17,28H,8-13H2,1-2H3,(H2,27,32,33)/b7-6+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Laval Curated by ChEMBL					Assay Description Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins				Eur J Med Chem 147: 130-149 (2018) Article DOI: 10.1016/j.ejmech.2018.01.094 BindingDB Entry DOI: 10.7270/Q2280B4X
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