Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM347491'   

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))	BDBM347491 (US9790180, ID 024) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(NC2CCN(CC2)C(=O)C2(O)CCCCC2)cc1)-c1cccs1 Show InChI InChI=1S/C29H34N4O3S/c30-24-11-8-21(26-5-4-18-37-26)19-25(24)32-27(34)20-6-9-22(10-7-20)31-23-12-16-33(17-13-23)28(35)29(36)14-2-1-3-15-29/h4-11,18-19,23,31,36H,1-3,12-17,30H2,(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, LLC US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US9790180 (2017) BindingDB Entry DOI: 10.7270/Q2GF0WM8
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