Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50055516'   

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))	BDBM50055516 (CHEMBL3317817) Show SMILES CC(C)(C)OC(=O)NCCC[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:19| Show InChI InChI=1S/C26H37N5O6S3/c1-25(2,3)37-24(35)27-10-7-9-17-22(33)36-16(8-5-6-11-38)12-19(32)28-13-20-29-18(14-39-20)21-31-26(4,15-40-21)23(34)30-17/h5,8,14,16-17,38H,6-7,9-13,15H2,1-4H3,(H,27,35)(H,28,32)(H,30,34)/b8-5+/t16-,17+,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) incubated at 37 degC for 30 mins				Bioorg Med Chem Lett 24: 3728-31 (2014) Article DOI: 10.1016/j.bmcl.2014.07.006 BindingDB Entry DOI: 10.7270/Q25Q4XRZ
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