Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM369922'   

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))	BDBM369922 ((R)-2-Fluoro-N-(1-(1-(6-methoxypyridin-3-yl)-3-met...) Show SMILES COc1ccc(cn1)N1C(=O)N(C)C(=O)C11CCN(CC1)C(=O)[C@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(C)C |r| Show InChI InChI=1S/C27H29F4N5O5/c1-15(2)21(33-22(37)18-13-16(27(29,30)31)5-7-19(18)28)23(38)35-11-9-26(10-12-35)24(39)34(3)25(40)36(26)17-6-8-20(41-4)32-14-17/h5-8,13-15,21H,9-12H2,1-4H3,(H,33,37)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono					Assay Description The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...				J Med Chem 51: 2227-2243 (2008) BindingDB Entry DOI: 10.7270/Q2QF8W5N
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