Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM347471'   

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))	BDBM347471 (US9790180, ID 005) Show SMILES CN1CCN(CC1)C(=O)N1CCC(CC1)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C28H34N6O2S/c1-32-14-16-34(17-15-32)28(36)33-12-10-23(11-13-33)30-22-7-4-20(5-8-22)27(35)31-25-19-21(6-9-24(25)29)26-3-2-18-37-26/h2-9,18-19,23,30H,10-17,29H2,1H3,(H,31,35)	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	1.20	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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