Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM347493'   

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))	BDBM347493 (US9790180, ID 026) Show SMILES CN1CCC(CC1)(Nc1ncc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1)c1ccccc1 Show InChI InChI=1S/C27H28N6OS/c1-33-13-11-27(12-14-33,21-6-3-2-4-7-21)32-26-29-17-20(18-30-26)25(34)31-23-16-19(9-10-22(23)28)24-8-5-15-35-24/h2-10,15-18H,11-14,28H2,1H3,(H,31,34)(H,29,30,32)	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	10	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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