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BDBM50276036 (S)-N-(7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide::CHEMBL513881

SMILES: CC(=O)CCCCC[C@H](NC(=O)c1ccc2OCCOc2c1)c1nc(c[nH]1)-c1ccccc1

InChI Key: InChIKey=FGOREKAQPPMVFS-NRFANRHFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50276036   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50276036
PNG
((S)-N-(7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)-2...)
Show SMILES CC(=O)CCCCC[C@H](NC(=O)c1ccc2OCCOc2c1)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C26H29N3O4/c1-18(30)8-4-2-7-11-21(25-27-17-22(28-25)19-9-5-3-6-10-19)29-26(31)20-12-13-23-24(16-20)33-15-14-32-23/h3,5-6,9-10,12-13,16-17,21H,2,4,7-8,11,14-15H2,1H3,(H,27,28)(H,29,31)/t21-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



IRBM/Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminally flag tagged HDAC1


Bioorg Med Chem Lett 18: 5528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.003
BindingDB Entry DOI: 10.7270/Q24T6K81
More data for this
Ligand-Target Pair