BDBM50056980 CHEMBL3329996

SMILES: CCN(CCc1c(C)[nH]c2ccccc12)S(=O)(=O)c1ccc(\C=C\C(=O)NO)cc1

InChI Key: InChIKey=IXTOGGQOXUTXQZ-JLHYYAGUSA-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 = 50056980   

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 (Homo sapiens (Human))	BDBM50056980 (CHEMBL3329996) Show SMILES CCN(CCc1c(C)[nH]c2ccccc12)S(=O)(=O)c1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C22H25N3O4S/c1-3-25(15-14-19-16(2)23-21-7-5-4-6-20(19)21)30(28,29)18-11-8-17(9-12-18)10-13-22(26)24-27/h4-13,23,27H,3,14-15H2,1-2H3,(H,24,26)/b13-10+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay				Eur J Med Chem 85: 468-79 (2014) Article DOI: 10.1016/j.ejmech.2014.08.020 BindingDB Entry DOI: 10.7270/Q2NK3GQQ
					More data for this Ligand-Target Pair