Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM439015'   

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))	BDBM439015 (US10604502, Ex # 3) Show SMILES Cc1cc2n(cc(-c3cncc(N)c3C(F)F)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:22.24,wD:25.28,(-4.33,-.81,;-2.99,-.04,;-1.66,-.81,;-.32,-.04,;1.14,-.51,;2.05,.73,;1.14,1.98,;1.62,3.44,;.59,4.59,;1.06,6.05,;2.57,6.37,;3.6,5.23,;5.1,5.55,;3.12,3.76,;4.15,2.62,;5.66,2.94,;3.68,1.15,;-.32,1.5,;-1.66,2.27,;-2.99,1.5,;-4.33,2.27,;-5.66,3.04,;1.62,-1.98,;3.12,-2.3,;3.6,-3.76,;2.57,-4.91,;3.04,-6.37,;1.06,-4.59,;.59,-3.12,)| Show InChI InChI=1S/C22H22F2N4O/c1-12-6-20-16(7-13(12)8-25)18(11-28(20)14-2-4-15(29)5-3-14)17-9-27-10-19(26)21(17)22(23)24/h6-7,9-11,14-15,22,29H,2-5,26H2,1H3/t14-,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	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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