Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50527607'   

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 6 (Homo sapiens (Human))	BDBM50527607 (CHEMBL4443548) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCc3ccc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H26N10O3/c1-2-20(36-26-24-25(33-15-32-24)34-16-35-26)27-37-22-10-6-9-21(23(22)29(41)39(27)19-7-4-3-5-8-19)31-14-18-12-11-17(13-30-18)28(40)38-42/h3-13,15-16,20,31,42H,2,14H2,1H3,(H,38,40)(H2,32,33,34,35,36)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1125 residues) expressed in baculovirus infected insect cells using fluorogenic pep...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
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