Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily H member 2' and Ligand = 'BDBM50068013'   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50068013 (CHEMBL3402182) Show SMILES Cc1cc(=O)n2C[C@](O)(CC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c3c(F)cnc1c23 |r,wD:7.7,(1.32,-3.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,;1.32,1,;.92,2.51,;-1,2.53,;-2.22,2.32,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;,.24,)| Show InChI InChI=1S/C27H28FN5O5/c1-15-8-20(35)33-13-27(36,21-17(28)10-29-22(15)23(21)33)12-26-6-4-25(5-7-26,14-38-26)30-9-16-2-3-18-24(31-16)32-19(34)11-37-18/h2-3,8,10,30,36H,4-7,9,11-14H2,1H3,(H,31,32,34)/t25?,26?,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human ERG by MK499 binding assay				Bioorg Med Chem Lett 25: 1831-5 (2015) Article DOI: 10.1016/j.bmcl.2015.03.044 BindingDB Entry DOI: 10.7270/Q2T43VS7
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