Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM439039'   

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))	BDBM439039 (US10604502, Ex # 27) Show SMILES Cc1cc2n(cc(-c3c(C)c(N)ccc3F)c2cc1C#N)[C@@H]1CC[C@H](O)CC1 |r,wU:21.23,24.27,(-4.05,-.81,;-2.71,-.04,;-1.38,-.81,;-.05,-.04,;1.42,-.51,;2.32,.73,;1.42,1.98,;1.89,3.44,;3.4,3.76,;4.43,2.62,;3.88,5.23,;5.38,5.55,;2.85,6.37,;1.34,6.05,;.86,4.59,;-.64,4.27,;-.05,1.5,;-1.38,2.27,;-2.71,1.5,;-4.05,2.27,;-5.38,3.04,;1.89,-1.98,;.86,-3.12,;1.34,-4.59,;2.85,-4.91,;3.32,-6.37,;3.88,-3.76,;3.4,-2.3,)| Show InChI InChI=1S/C23H24FN3O/c1-13-9-22-18(10-15(13)11-25)19(23-14(2)21(26)8-7-20(23)24)12-27(22)16-3-5-17(28)6-4-16/h7-10,12,16-17,28H,3-6,26H2,1-2H3/t16-,17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of twelve concentrations. The...				US Patent US10604502 (2020) BindingDB Entry DOI: 10.7270/Q2MW2M62
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