BDBM50251250 CHEMBL4099070

SMILES: ONC(=O)\C=C\c1cccc(CNCc2ccc3cc(Br)ccc3n2)c1

InChI Key: InChIKey=WSKYPLJHHVNQSP-RUDMXATFSA-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 = 50251250   

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 (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50251250 (CHEMBL4099070) Show SMILES ONC(=O)\C=C\c1cccc(CNCc2ccc3cc(Br)ccc3n2)c1 Show InChI InChI=1S/C20H18BrN3O2/c21-17-6-8-19-16(11-17)5-7-18(23-19)13-22-12-15-3-1-2-14(10-15)4-9-20(25)24-26/h1-11,22,26H,12-13H2,(H,24,25)/b9-4+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	559	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P Curated by ChEMBL					Assay Description Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...				Eur J Med Chem 133: 11-23 (2017) Article DOI: 10.1016/j.ejmech.2017.03.064 BindingDB Entry DOI: 10.7270/Q2PV6NTB
					More data for this Ligand-Target Pair