Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM19152'   

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 1 (Homo sapiens (Human))	BDBM19152 ((1S,7R,10S,16E,21R)-21-methyl-7-(propan-2-yl)-2-ox...) Show SMILES CC(C)[C@H]1NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C)C(=O)N2)OC(=O)CNC1=O |r,t:13| Show InChI InChI=1S/C20H30N4O6S2/c1-11(2)17-20(29)21-9-16(26)30-13-6-4-5-7-31-32-10-14(19(28)24-17)23-18(27)12(3)22-15(25)8-13/h4,6,11-14,17H,5,7-10H2,1-3H3,(H,21,29)(H,22,25)(H,23,27)(H,24,28)/b6-4+/t12-,13-,14-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	8.0	37
University of Southampton					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5720-5726 (2007) Article DOI: 10.1021/jm0703800 BindingDB Entry DOI: 10.7270/Q2ST7N4B
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