Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM136703'   

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))	BDBM136703 (US8865655, 11) Show SMILES CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)C[C@@H]1O)\C=C\CCSC(C)=O)C(C)C |r| Show InChI InChI=1S/C24H39N3O7S/c1-13(2)21-18(29)12-20(31)34-17(9-7-8-10-35-16(6)28)11-19(30)26-22(14(3)4)24(33)25-15(5)23(32)27-21/h7,9,13-15,17-18,21-22,29H,8,10-12H2,1-6H3,(H,25,33)(H,26,30)(H,27,32)/b9-7+/t15-,17-,18+,21-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21.6	n/a	n/a	n/a	n/a	n/a	25
Karus Therapeutics Limited US Patent					Assay Description In vitro HDAC assays were performed using a HDAC fluorescent activity assay kit (Biomol, UK) according to the manufacturer's instructions. Compounds ...				US Patent US8865655 (2014) BindingDB Entry DOI: 10.7270/Q2Z036V4
					More data for this Ligand-Target Pair