Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM439120'   

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))	BDBM439120 (US10604502, Ex # 108) Show SMILES CN(C)S(=O)(=O)[C@H]1CC[C@@H](CC1)n1cc(-c2cncc(N)c2Cl)c2cc(C#N)c(C)cc12 |r,wU:9.12,wD:6.5,(5.64,-4.74,;4.55,-5.83,;4.95,-7.32,;3.06,-5.43,;1.58,-5.03,;1.97,-6.52,;2.59,-3.96,;3.62,-2.82,;3.14,-1.36,;1.64,-1.04,;.61,-2.18,;1.08,-3.64,;1.16,.43,;2.06,1.68,;1.16,2.92,;1.64,4.39,;.61,5.53,;1.08,6.99,;2.59,7.32,;3.62,6.17,;5.12,6.49,;3.14,4.71,;4.17,3.56,;-.31,2.45,;-1.64,3.22,;-2.97,2.45,;-4.31,3.22,;-5.64,3.99,;-2.97,.91,;-4.31,.14,;-1.64,.14,;-.31,.91,)| Show InChI InChI=1S/C23H26ClN5O2S/c1-14-8-22-18(9-15(14)10-25)20(19-11-27-12-21(26)23(19)24)13-29(22)16-4-6-17(7-5-16)32(30,31)28(2)3/h8-9,11-13,16-17H,4-7,26H2,1-3H3/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	1	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
					More data for this Ligand-Target Pair