Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase-like amidohydrolase' and Ligand = 'BDBM50361257'   

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
Histone deacetylase-like amidohydrolase (Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)	BDBM50361257 (CHEMBL1934899) Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(cc1)-c1cn(nn1)-c1ccccc1 Show InChI InChI=1S/C22H13F12N5O3/c23-17(24,19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)16(41)37-42)15(40)35-12-8-6-11(7-9-12)14-10-39(38-36-14)13-4-2-1-3-5-13/h1-10,42H,(H,35,40)(H,37,41)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a
University of Applied Sciences Curated by ChEMBL					Assay Description Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay				Bioorg Med Chem 20: 985-95 (2012) Article DOI: 10.1016/j.bmc.2011.11.041 BindingDB Entry DOI: 10.7270/Q2QJ7HRC
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