new BindingDB logo
myBDB logout

BDBM152725 (3-azaniumylpropyl)(7,7,7-trifluoro-6-oxoheptyl)azanium (1)

SMILES: [NH3+]CCC[NH2+]CCCCCC(=O)C(F)(F)F

InChI Key: InChIKey=LYHQJWHAOKHZFC-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 = 152725   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Histone deacetylase 8


(Homo sapiens (Human))
BDBM152725
PNG
((3-azaniumylpropyl)(7,7,7-trifluoro-6-oxoheptyl)az...)
Show SMILES [NH3+]CCC[NH2+]CCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C10H19F3N2O/c11-10(12,13)9(16)5-2-1-3-7-15-8-4-6-14/h15H,1-8,14H2/p+2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/a8.2n/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