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BDBM50138812 CHEMBL3754172

SMILES: CC(=O)N[C@@H](CSC(=S)Nc1ccc(C)c(NC(=S)SC[C@H](NC(C)=O)C(O)=O)c1)C(O)=O

InChI Key: InChIKey=CZVKXDXMYIXBDA-GJZGRUSLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50138812   
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


(Homo sapiens (Human))
BDBM50138812
PNG
(CHEMBL3754172)
Show SMILES CC(=O)N[C@@H](CSC(=S)Nc1ccc(C)c(NC(=S)SC[C@H](NC(C)=O)C(O)=O)c1)C(O)=O
Show InChI InChI=1S/C19H24N4O6S4/c1-9-4-5-12(22-18(30)32-7-14(16(26)27)20-10(2)24)6-13(9)23-19(31)33-8-15(17(28)29)21-11(3)25/h4-6,14-15H,7-8H2,1-3H3,(H,20,24)(H,21,25)(H,22,30)(H,23,31)(H,26,27)(H,28,29)/t14-,15-/m0/s1
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Article
PubMed
n/an/a 4.50E+5n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human LoVo/DX cells using Boc-Lys(Ac)-AMC as substrate assessed as release of AMC pre-incubated for 15 mins followed by substra...


Bioorg Med Chem Lett 26: 667-71 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.045
BindingDB Entry DOI: 10.7270/Q2D220G2
More data for this
Ligand-Target Pair