Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM347472'   

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))	BDBM347472 (US9790180, ID 006) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(NC2CCN(CC2)C(=O)N2CCCC2)cc1)-c1cccs1 Show InChI InChI=1S/C27H31N5O2S/c28-23-10-7-20(25-4-3-17-35-25)18-24(23)30-26(33)19-5-8-21(9-6-19)29-22-11-15-32(16-12-22)27(34)31-13-1-2-14-31/h3-10,17-18,22,29H,1-2,11-16,28H2,(H,30,33)	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	4.70	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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