Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM213178'   

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))	BDBM213178 (US9278963, 026) Show SMILES CC(C)[C@H](C(=O)N1CCC(CC1)(Nc1ncc(cn1)C(=O)NO)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H31N5O3/c1-19(2)23(20-9-5-3-6-10-20)25(34)32-15-13-27(14-16-32,22-11-7-4-8-12-22)30-26-28-17-21(18-29-26)24(33)31-35/h3-12,17-19,23,35H,13-16H2,1-2H3,(H,31,33)(H,28,29,30)/t23-/m0/s1	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	206	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
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