BDBM50385021 CHEMBL2035392

SMILES: Nc1ccccc1NC(=O)c1ccc(NCC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1

InChI Key: InChIKey=YJSPMDMKCKGPTH-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 = 50385021   

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))	BDBM50385021 (CHEMBL2035392) Show SMILES Nc1ccccc1NC(=O)c1ccc(NCC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C21H19N5O4/c22-18-6-1-2-7-19(18)25-21(28)14-8-10-15(11-9-14)23-13-20(27)24-16-4-3-5-17(12-16)26(29)30/h1-12,23H,13,22H2,(H,24,27)(H,25,28)	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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guru Ghasidas University Curated by ChEMBL					Assay Description Inhibition of HDAC1 using Fluor de Lys as substrate by fluorescence analysis				Eur J Med Chem 53: 390-7 (2012) Article DOI: 10.1016/j.ejmech.2012.03.058 BindingDB Entry DOI: 10.7270/Q25M66QJ
					More data for this Ligand-Target Pair