Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM498094'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM498094 (2-(6-(((1R,2S)-2-((E)-1-phenylbut-1-en-2-yl)cyclop...) Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1N(C1CC2(C1)CN(CCS(N)(=O)=O)C2)C(=O)C(F)(F)F Show InChI InChI=1S/C23H30F3N3O3S/c1-2-17(10-16-6-4-3-5-7-16)19-11-20(19)29(21(30)23(24,25)26)18-12-22(13-18)14-28(15-22)8-9-33(27,31)32/h3-7,10,18-20H,2,8-9,11-15H2,1H3,(H2,27,31,32)/b17-10+/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals, Inc. US Patent					Assay Description LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...				US Patent US11013718 (2021)
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