BDBM50026441 CHEMBL3335292

SMILES: ONC(=O)CCCCc1ccn(Cc2ccc(cc2)[N+]([O-])=O)n1

InChI Key: InChIKey=IGBASONUCXPAGV-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 = 50026441   

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))	BDBM50026441 (CHEMBL3335292) Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)[N+]([O-])=O)n1 Show InChI InChI=1S/C15H18N4O4/c20-15(17-21)4-2-1-3-13-9-10-18(16-13)11-12-5-7-14(8-6-12)19(22)23/h5-10,21H,1-4,11H2,(H,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	242	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay				Eur J Med Chem 86: 639-52 (2014) Article DOI: 10.1016/j.ejmech.2014.09.024 BindingDB Entry DOI: 10.7270/Q2NV9KTB
					More data for this Ligand-Target Pair