BindingDB logo
myBDB logout

BDBM65543 (S)-4-(3-(2-((2,6-diisopropylphenyl)amino)-2-oxo-1-phenylethyl)ureido)-N-(6-(hydroxyamino)-6-oxohexyl)benzamide (L17)

SMILES: CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](NC(=O)Nc1ccc(cc1)C(=O)NCCCCCC(=O)NO)c1ccccc1

InChI Key: InChIKey=QMJJXEKHZDDUNX-PMERELPUSA-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 = 65543   
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))		BDBM65543
PNG
((S)-4-(3-(2-((2,6-diisopropylphenyl)amino)-2-oxo-1...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](NC(=O)Nc1ccc(cc1)C(=O)NCCCCCC(=O)NO)c1ccccc1
Show InChI InChI=1S/C34H43N5O5/c1-22(2)27-14-11-15-28(23(3)4)31(27)37-33(42)30(24-12-7-5-8-13-24)38-34(43)36-26-19-17-25(18-20-26)32(41)35-21-10-6-9-16-29(40)39-44/h5,7-8,11-15,17-20,22-23,30,44H,6,9-10,16,21H2,1-4H3,(H,35,41)(H,37,42)(H,39,40)(H2,36,38,43)/t30-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.79E+3n/an/an/an/an/an/a



Qingdao University



Assay Description
The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...

J Enzyme Inhib Med Chem 29: 582-9 (2014)


Article DOI: 10.3109/14756366.2013.827678
BindingDB Entry DOI: 10.7270/Q2S46Q3F
More data for this
Ligand-Target Pair