Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A [151-852]' and Ligand = 'BDBM104112'   

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 [151-852] (Homo sapiens (Human))	BDBM104112 (US10640503, Example 30 | US9695168, 30) Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc4oc(=O)n(C)c4cc3F)n3cncc23)C1 |r,wD:5.5,(9.29,.9,;7.96,1.67,;7.96,3.21,;6.62,3.98,;5.29,3.21,;5.29,1.67,;3.96,.9,;2.62,1.67,;1.29,.9,;-.05,1.67,;-1.38,.9,;-2.71,1.67,;-2.71,3.21,;-4.05,3.98,;-5.43,3.24,;-5.38,1.67,;-4.05,.9,;-6.76,4.01,;-8.1,4.78,;-1.38,-.64,;-2.71,-1.41,;-4.05,-.64,;-5.38,-1.41,;-6.84,-.93,;-7.75,-2.18,;-9.29,-2.18,;-6.84,-3.42,;-7.61,-4.75,;-5.38,-2.95,;-4.05,-3.72,;-2.71,-2.95,;-1.38,-3.72,;-.05,-1.41,;.27,-2.91,;1.81,-3.07,;2.43,-1.67,;1.29,-.64,;6.62,.9,)| Show InChI InChI=1S/C28H25FN6O3/c1-33-9-3-4-18(14-33)15-37-27-23-13-31-16-35(23)26(25(32-27)19-7-5-17(12-30)6-8-19)20-10-24-22(11-21(20)29)34(2)28(36)38-24/h5-8,10-11,13,16,18H,3-4,9,14-15H2,1-2H3/t18-/m1/s1	PDB UniProtKB/SwissProt 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	25
Incyte Corporation US Patent					Assay Description LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...				US Patent US9695168 (2017) BindingDB Entry DOI: 10.7270/Q2SX6BCD
					More data for this Ligand-Target Pair