Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM270488'   

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))	BDBM270488 (US10059668, Example 52) Show SMILES CN(C(=O)\C=C\c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C27H35N3O3S/c1-29(34(2,32)33)27(31)13-12-21-8-10-23(11-9-21)20-30-16-14-22(15-17-30)19-28-26-18-25(26)24-6-4-3-5-7-24/h3-13,22,25-26,28H,14-20H2,1-2H3/b13-12+/t25-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	25
Mirati Therapeutics, Inc. US Patent					Assay Description Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...				US Patent US10059668 (2018) BindingDB Entry DOI: 10.7270/Q2ZC84XW
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