Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 3A' and Ligand = 'BDBM50498680'   

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 3A (Homo sapiens (Human))	BDBM50498680 (CHEMBL3621878) Show SMILES OC(=O)c1ccnc(c1)-c1cn(nn1)C1CCCN(C1)C(=O)c1ccccc1 Show InChI InChI=1S/C20H19N5O3/c26-19(14-5-2-1-3-6-14)24-10-4-7-16(12-24)25-13-18(22-23-25)17-11-15(20(27)28)8-9-21-17/h1-3,5-6,8-9,11,13,16H,4,7,10,12H2,(H,27,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM3A (unknown origin) using H3(1-21)K9Me2-GGK-biotin substrate incubated for 5 mins by alpha screen assay				Medchemcomm 5: 1879-1886 (2014) Article DOI: 10.1039/C4MD00291A BindingDB Entry DOI: 10.7270/Q2KH0RBN
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