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BDBM50308284 (S)-tert-Butyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-(phenylcarbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate::CHEMBL589303

SMILES: CC(C)(C)OC(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccccc1

InChI Key: InChIKey=LEDNYRRCZWUKLX-IBGZPJMESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50308284   
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))
BDBM50308284
PNG
((S)-tert-Butyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-...)
Show SMILES CC(C)(C)OC(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H27N3O6/c1-23(2,3)32-22(29)26-13-16-11-18(31-14-20(27)25-30)10-9-15(16)12-19(26)21(28)24-17-7-5-4-6-8-17/h4-11,19,30H,12-14H2,1-3H3,(H,24,28)(H,25,27)/t19-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.29E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay


Bioorg Med Chem 18: 1761-72 (2010)


Article DOI: 10.1016/j.bmc.2010.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WX3
More data for this
Ligand-Target Pair