BDBM50196599 7-(3-fluoro-4-((3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl)methylamino)phenoxy)-N-hydroxyheptanamide::CHEMBL217263

SMILES: Cc1ncc(CO)c(CNc2ccc(OCCCCCCC(=O)NO)cc2F)c1O

InChI Key: InChIKey=XXNTYNBQALRDDA-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50196599   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50196599 (7-(3-fluoro-4-((3-hydroxy-5-(hydroxymethyl)-2-meth...) Show SMILES Cc1ncc(CO)c(CNc2ccc(OCCCCCCC(=O)NO)cc2F)c1O Show InChI InChI=1S/C21H28FN3O5/c1-14-21(28)17(15(13-26)11-23-14)12-24-19-8-7-16(10-18(19)22)30-9-5-3-2-4-6-20(27)25-29/h7-8,10-11,24,26,28-29H,2-6,9,12-13H2,1H3,(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source				Bioorg Med Chem Lett 17: 136-41 (2006) Article DOI: 10.1016/j.bmcl.2006.09.085 BindingDB Entry DOI: 10.7270/Q2B56JDQ
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