Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 5A' and Ligand = 'BDBM281108'   

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))	BDBM281108 (US10022354, Example 48) Show SMILES Cc1cc(cc(n1)C1CCN(C1)C(=O)c1cc(n[nH]1)C(C)(C)C)-c1cnn(C)c1 Show InChI InChI=1S/C22H28N6O/c1-14-8-16(17-11-23-27(5)12-17)9-18(24-14)15-6-7-28(13-15)21(29)19-10-20(26-25-19)22(2,3)4/h8-12,15H,6-7,13H2,1-5H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	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
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Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM281108 (US10022354, Example 48) Show SMILES Cc1cc(cc(n1)C1CCN(C1)C(=O)c1cc(n[nH]1)C(C)(C)C)-c1cnn(C)c1 Show InChI InChI=1S/C22H28N6O/c1-14-8-16(17-11-23-27(5)12-17)9-18(24-14)15-6-7-28(13-15)21(29)19-10-20(26-25-19)22(2,3)4/h8-12,15H,6-7,13H2,1-5H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	897	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