Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM105591'   

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
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM105591 (US10047086, 109 | US10640503, Example 109 | US9695...) Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)c(=O)n(C)c3c2F)n2cncc12 |(8,3.81,;6.67,4.58,;6.67,6.12,;5.33,3.81,;5.33,2.27,;4,1.5,;2.67,2.27,;2.67,3.81,;4,4.58,;1.33,1.5,;,2.27,;-1.33,1.5,;-2.67,2.27,;-2.67,3.81,;-4,4.58,;-5.33,3.81,;-5.33,2.27,;-4,1.5,;-6.67,4.58,;-8,5.35,;-1.33,-.04,;-2.67,-.81,;-4,-.04,;-5.33,-.81,;-5.33,-2.35,;-6.48,-3.38,;-7.97,-2.98,;-5.85,-4.79,;-6.62,-6.12,;-4.32,-4.63,;-3.23,-5.71,;-4,-3.12,;-2.67,-2.35,;-1.33,-3.12,;,-.81,;.32,-2.32,;1.85,-2.48,;2.48,-1.07,;1.33,-.04,)| Show InChI InChI=1S/C29H29FN8O/c1-34(2)20-11-13-37(14-12-20)28-23-16-32-17-38(23)26(25(33-28)19-7-5-18(15-31)6-8-19)21-9-10-22-27(24(21)30)36(4)29(39)35(22)3/h5-10,16-17,20H,11-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation US Patent					Assay Description LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...				US Patent US10640503 (2020) BindingDB Entry DOI: 10.7270/Q2D79FFC
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM105591 (US10047086, 109 | US10640503, Example 109 | US9695...) Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)c(=O)n(C)c3c2F)n2cncc12 |(8,3.81,;6.67,4.58,;6.67,6.12,;5.33,3.81,;5.33,2.27,;4,1.5,;2.67,2.27,;2.67,3.81,;4,4.58,;1.33,1.5,;,2.27,;-1.33,1.5,;-2.67,2.27,;-2.67,3.81,;-4,4.58,;-5.33,3.81,;-5.33,2.27,;-4,1.5,;-6.67,4.58,;-8,5.35,;-1.33,-.04,;-2.67,-.81,;-4,-.04,;-5.33,-.81,;-5.33,-2.35,;-6.48,-3.38,;-7.97,-2.98,;-5.85,-4.79,;-6.62,-6.12,;-4.32,-4.63,;-3.23,-5.71,;-4,-3.12,;-2.67,-2.35,;-1.33,-3.12,;,-.81,;.32,-2.32,;1.85,-2.48,;2.48,-1.07,;1.33,-.04,)| Show InChI InChI=1S/C29H29FN8O/c1-34(2)20-11-13-37(14-12-20)28-23-16-32-17-38(23)26(25(33-28)19-7-5-18(15-31)6-8-19)21-9-10-22-27(24(21)30)36(4)29(39)35(22)3/h5-10,16-17,20H,11-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	7.5	n/a
Incyte Corporation US Patent					Assay Description LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...				US Patent US10047086 (2018) BindingDB Entry DOI: 10.7270/Q28917W4
					More data for this Ligand-Target Pair