Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 5A' and Ligand = 'BDBM50158812'   

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))	BDBM50158812 (CHEMBL3786987) Show SMILES COC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)cc1 Show InChI InChI=1S/C17H14ClN3O3/c1-23-17(22)13-6-8-19-15(10-13)21-16(7-9-20-21)24-11-12-2-4-14(18)5-3-12/h2-10H,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM5A in human ZR-75-1 cells assessed as reduction in H3K4me3 demethylation incubated for 72 hrs by fluorometric immunoassay				J Med Chem 59: 1308-29 (2016) Article DOI: 10.1021/acs.jmedchem.5b01758 BindingDB Entry DOI: 10.7270/Q2MP5559
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