Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM65541'   

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 8 (Homo sapiens (Human))	BDBM65541 ((S)-4-(3-(2-((4-fluorobenzyl)amino)-2-oxo-1-phenyl...) Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)NCc2ccc(F)cc2)c2ccccc2)cc1 Show InChI InChI=1S/C29H32FN5O5/c30-23-14-10-20(11-15-23)19-32-28(38)26(21-7-3-1-4-8-21)34-29(39)33-24-16-12-22(13-17-24)27(37)31-18-6-2-5-9-25(36)35-40/h1,3-4,7-8,10-17,26,40H,2,5-6,9,18-19H2,(H,31,37)(H,32,38)(H,35,36)(H2,33,34,39)/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qingdao University					Assay Description The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...				J Enzyme Inhib Med Chem 29: 582-9 (2014) Article DOI: 10.3109/14756366.2013.827678 BindingDB Entry DOI: 10.7270/Q2S46Q3F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM65541 ((S)-4-(3-(2-((4-fluorobenzyl)amino)-2-oxo-1-phenyl...) Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)NCc2ccc(F)cc2)c2ccccc2)cc1 Show InChI InChI=1S/C29H32FN5O5/c30-23-14-10-20(11-15-23)19-32-28(38)26(21-7-3-1-4-8-21)34-29(39)33-24-16-12-22(13-17-24)27(37)31-18-6-2-5-9-25(36)35-40/h1,3-4,7-8,10-17,26,40H,2,5-6,9,18-19H2,(H,31,37)(H,32,38)(H,35,36)(H2,33,34,39)/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qingdao University					Assay Description The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...				J Enzyme Inhib Med Chem 29: 582-9 (2014) Article DOI: 10.3109/14756366.2013.827678 BindingDB Entry DOI: 10.7270/Q2S46Q3F
					More data for this Ligand-Target Pair