Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM439056'   

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))	BDBM439056 (US10604502, Ex # 44) Show SMILES COC(=O)[C@H]1CC[C@@H](CC1)n1cc(-c2cncc(N)c2Cl)c2cc(C#N)c(C)cc12 |r,wU:7.10,wD:4.3,(5.62,-4.98,;4.59,-6.12,;3.08,-5.8,;2.05,-6.94,;2.61,-4.34,;3.64,-3.19,;3.16,-1.73,;1.66,-1.41,;.62,-2.55,;1.1,-4.02,;1.18,.06,;2.08,1.3,;1.18,2.55,;1.66,4.02,;.62,5.16,;1.1,6.62,;2.61,6.94,;3.64,5.8,;5.14,6.12,;3.16,4.34,;4.19,3.19,;-.29,2.07,;-1.62,2.84,;-2.95,2.07,;-4.29,2.84,;-5.62,3.61,;-2.95,.53,;-4.29,-.24,;-1.62,-.24,;-.29,.53,)| Show InChI InChI=1S/C23H23ClN4O2/c1-13-7-21-17(8-15(13)9-25)19(18-10-27-11-20(26)22(18)24)12-28(21)16-5-3-14(4-6-16)23(29)30-2/h7-8,10-12,14,16H,3-6,26H2,1-2H3/t14-,16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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