Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50258551'   

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))	BDBM50258551 ((S)-N-hydroxy-7-(2-(5-methoxy-2-methyl-1H-indol-3-...) Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(=O)NO)c3nc(c[nH]3)-c3ccc4ccccc4c3)c2c1 |r| Show InChI InChI=1S/C32H35N5O4/c1-20-25(26-17-24(41-2)14-15-27(26)34-20)18-31(39)35-28(10-4-3-5-11-30(38)37-40)32-33-19-29(36-32)23-13-12-21-8-6-7-9-22(21)16-23/h6-9,12-17,19,28,34,40H,3-5,10-11,18H2,1-2H3,(H,33,36)(H,35,39)(H,37,38)/t28-/m0/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	3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin)				Bioorg Med Chem Lett 19: 3081-4 (2009) Article DOI: 10.1016/j.bmcl.2009.04.011 BindingDB Entry DOI: 10.7270/Q2P84BSJ
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