Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50257077'   

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))	BDBM50257077 (CHEMBL515432 | N1-(2-aminophenyl)-N4-(4-methyl-3-(...) Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(s1)-c1cccnc1 Show InChI InChI=1S/C29H24N6O2S/c1-18-8-13-22(15-25(18)35-29-32-17-26(38-29)21-5-4-14-31-16-21)33-27(36)19-9-11-20(12-10-19)28(37)34-24-7-3-2-6-23(24)30/h2-17H,30H2,1H3,(H,32,35)(H,33,36)(H,34,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 expressed in HEK293 cells				J Med Chem 52: 2265-79 (2009) Article DOI: 10.1021/jm800988r BindingDB Entry DOI: 10.7270/Q2NS0TSP
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