Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-ketoglutarate-dependent dioxygenase FTO' and Ligand = 'BDBM50431021'   

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
Alpha-ketoglutarate-dependent dioxygenase FTO (Homo sapiens (Human))	BDBM50431021 (CHEMBL2338324) Show SMILES OC(=O)C=CC(=O)NNC(=O)c1ccc(cn1)-c1ccccc1Oc1ccccc1 |w:4.4| Show InChI InChI=1S/C22H17N3O5/c26-20(12-13-21(27)28)24-25-22(29)18-11-10-15(14-23-18)17-8-4-5-9-19(17)30-16-6-2-1-3-7-16/h1-14H,(H,24,26)(H,25,29)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human hexahistidine-tagged full-length FTO expressed in Escherichia coli BL21 (DE3) using 3-methylthymidine as substrate assessed as in...				J Med Chem 56: 3680-8 (2013) Article DOI: 10.1021/jm400193d BindingDB Entry DOI: 10.7270/Q21V5GBQ
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