Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM50044636'   

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))	BDBM50044636 (CHEMBL3309297) Show SMILES CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@H]1CC[C@@H](CC1)\C=C\C(=O)NO |r,wU:17.18,wD:20.25,(21.24,-20.14,;22.02,-21.48,;22.78,-20.14,;23.36,-22.25,;23.36,-23.79,;24.69,-24.56,;22.02,-24.56,;20.69,-23.79,;19.36,-24.56,;18.02,-23.79,;18.02,-22.25,;19.36,-21.48,;20.69,-22.25,;16.7,-21.48,;16.7,-19.94,;15.36,-22.25,;14.02,-21.48,;12.69,-22.25,;12.69,-23.8,;11.35,-24.56,;10.01,-23.79,;10.02,-22.25,;11.35,-21.48,;8.67,-24.55,;7.34,-23.78,;6.01,-24.54,;6,-26.08,;4.68,-23.76,;3.34,-24.53,)| Show InChI InChI=1S/C22H29N3O4/c1-22(2)12-20(27)24-18-9-8-16(11-17(18)22)21(28)23-13-15-5-3-14(4-6-15)7-10-19(26)25-29/h7-11,14-15,29H,3-6,12-13H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/b10-7+/t14-,15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Pharmaceutical Chemicals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human HDAC8 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay				Bioorg Med Chem 22: 3720-31 (2014) Article DOI: 10.1016/j.bmc.2014.05.001 BindingDB Entry DOI: 10.7270/Q24T6M0V
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