BDBM152726 (3-azaniumylpropyl)(5-sulfanylpentyl)azanium (2)

SMILES: [NH3+]CCC[NH2+]CCCCCS

InChI Key: InChIKey=UEAAWEWNMXIYCA-UHFFFAOYSA-P

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 = 152726   

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 8 (Homo sapiens (Human))	BDBM152726 ((3-azaniumylpropyl)(5-sulfanylpentyl)azanium (2)) Show SMILES [NH3+]CCC[NH2+]CCCCCS Show InChI InChI=1S/C8H20N2S/c9-5-4-7-10-6-2-1-3-8-11/h10-11H,1-9H2/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	8.2	n/a
University of Pennsylvania					Assay Description Activity assays were conducted at 25 °C and contained 500 nM HDAC8 enzyme, 150 μM Ac-Arg-His-Lys(Ac)-Lys(Ac)-aminomethylcoumarin substrate (BML-...				Biochemistry 54: 4692-703 (2015) Article DOI: 10.1021/acs.biochem.5b00536 BindingDB Entry DOI: 10.7270/Q2FN14ZS
					More data for this Ligand-Target Pair