BDBM172800 US9096559, 31

SMILES: Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)CCc2ccccc2)cc1)-c1ccccc1

InChI Key: InChIKey=DYYHWPSUKPPWOS-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 = 172800   

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))	BDBM172800 (US9096559, 31) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)CCc2ccccc2)cc1)-c1ccccc1 Show InChI InChI=1S/C29H27N3O2/c30-26-17-16-25(23-9-5-2-6-10-23)19-27(26)32-29(34)24-14-11-22(12-15-24)20-31-28(33)18-13-21-7-3-1-4-8-21/h1-12,14-17,19H,13,18,20,30H2,(H,31,33)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair