Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM439121'   

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))	BDBM439121 (1-((1R,4R)-1-aminosulfonylcyclohexyl)-6-methyl-3-(...) Show SMILES Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)[C@H]1CC[C@@H](CC1)S(N)(=O)=O |r,wU:20.22,wD:23.29,(-4.05,-.26,;-2.71,.51,;-1.38,-.26,;-.05,.51,;1.42,.03,;2.32,1.28,;1.42,2.52,;1.89,3.99,;.86,5.13,;1.34,6.6,;2.85,6.92,;3.88,5.77,;5.38,6.09,;3.4,4.31,;4.43,3.16,;-.05,2.05,;-1.38,2.82,;-2.71,2.05,;-4.05,2.82,;-5.38,3.59,;1.89,-1.43,;3.4,-1.75,;3.88,-3.22,;2.85,-4.36,;1.34,-4.04,;.86,-2.58,;3.32,-5.83,;4.81,-6.23,;1.83,-5.43,;2.23,-6.92,)| Show InChI InChI=1S/C21H22ClN5O2S/c1-12-6-20-16(7-13(12)8-23)18(17-9-26-10-19(24)21(17)22)11-27(20)14-2-4-15(5-3-14)30(25,28)29/h6-7,9-11,14-15H,2-5,24H2,1H3,(H2,25,28,29)/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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