Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50223504'   

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))	BDBM50223504 ((5S,11S,13aR)-5-isobutyl-8,8-dimethyl-11-[5-(pyrid...) Show SMILES CC(C)C[C@@H]1NC(=O)C(C)(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C27H41N5O4S2/c1-18(2)17-20-25(35)32-15-10-12-21(32)24(34)29-19(23(33)31-27(3,4)26(36)30-20)11-6-5-9-16-37-38-22-13-7-8-14-28-22/h7-8,13-14,18-21H,5-6,9-12,15-17H2,1-4H3,(H,29,34)(H,30,36)(H,31,33)/t19-,20-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Life Science and Systems Engineering Curated by ChEMBL					Assay Description Inhibition of HDAC1 expressed in 293T cells				Bioorg Med Chem 16: 437-45 (2008) Article DOI: 10.1016/j.bmc.2007.09.021 BindingDB Entry DOI: 10.7270/Q2RJ4J77
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