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BDBM50275574 (S)-N-(1-(5-(4-cyanophenyl)-1H-imidazol-2-yl)-7-oxooctyl)-1-methylpiperidine-4-carboxamide::CHEMBL487778

SMILES: CN1CCC(CC1)C(=O)N[C@@H](CCCCCC(C)=O)c1nc(c[nH]1)-c1ccc(cc1)C#N

InChI Key: InChIKey=NECGZTHDEZSWKN-QFIPXVFZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50275574   
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 1


(Homo sapiens (Human))
BDBM50275574
PNG
((S)-N-(1-(5-(4-cyanophenyl)-1H-imidazol-2-yl)-7-ox...)
Show SMILES CN1CCC(CC1)C(=O)N[C@@H](CCCCCC(C)=O)c1nc(c[nH]1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H33N5O2/c1-18(31)6-4-3-5-7-22(29-25(32)21-12-14-30(2)15-13-21)24-27-17-23(28-24)20-10-8-19(16-26)9-11-20/h8-11,17,21-22H,3-7,12-15H2,1-2H3,(H,27,28)(H,29,32)/t22-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/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