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PubMed code 24999749

Compile data set for download or QSAR
Found 1 hit of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase


(Homo sapiens (Human))
BDBM50049427
PNG
(CHEMBL3315350)
Show SMILES [H][C@]1(CO1)C(=O)CCCCC[C@@H]1NC(=O)[C@@]2([H])CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O |r|
Show InChI InChI=1S/C27H36N4O6/c1-17-24(33)30-20(15-18-9-4-2-5-10-18)27(36)31-14-8-12-21(31)26(35)29-19(25(34)28-17)11-6-3-7-13-22(32)23-16-37-23/h2,4-5,9-10,17,19-21,23H,3,6-8,11-16H2,1H3,(H,28,34)(H,29,35)(H,30,33)/t17-,19-,20-,21+,23-/m0/s1
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KEGG

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CHEMBL
MCE
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 6.40n/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell lysates after 30 mins by fluorescence based assay


J Nat Prod 77: 1753-7 (2014)


Article DOI: 10.1021/np500387h
BindingDB Entry DOI: 10.7270/Q29Z96J4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%