Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 5A' and Ligand = 'BDBM281114'   

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 demethylase 5A (Homo sapiens (Human))	BDBM281114 (US10022354, Example 54) Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)c1cc(NC(C)=O)cc(C)n1 Show InChI InChI=1S/C19H25N5O2/c1-11(2)16-9-18(23-22-16)19(26)24-6-5-14(10-24)17-8-15(21-13(4)25)7-12(3)20-17/h7-9,11,14H,5-6,10H2,1-4H3,(H,22,23)(H,20,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.0	25
GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS INC. US Patent					Assay Description Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...				US Patent US10022354 (2018) BindingDB Entry DOI: 10.7270/Q2PC34F7
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM281114 (US10022354, Example 54) Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)c1cc(NC(C)=O)cc(C)n1 Show InChI InChI=1S/C19H25N5O2/c1-11(2)16-9-18(23-22-16)19(26)24-6-5-14(10-24)17-8-15(21-13(4)25)7-12(3)20-17/h7-9,11,14H,5-6,10H2,1-4H3,(H,22,23)(H,20,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc., 1 DNA Way, South San Francisco, CA 94080, USA. Electronic address: liang.jun@gene.com. Curated by ChEMBL					Assay Description Inhibition of KDM5A in human PC9 cells assessed as increase in H3K4me3 level after 5 days by mass-spectrometric method				Bioorg Med Chem Lett 27: 2974-2981 (2017) Article DOI: 10.1016/j.bmcl.2017.05.016 BindingDB Entry DOI: 10.7270/Q2RF5XFT
					More data for this Ligand-Target Pair