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BDBM50463766 CHEMBL4242750

SMILES: ONC(=O)CCCCCNc1c(NC2CCCCC2)c(=O)c1=O

InChI Key: InChIKey=QQBIVOODIUUILN-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50463766   
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
Cereblon/Histone deacetylase 1


(Homo sapiens (Human))
BDBM50463766
PNG
(CHEMBL4242750)
Show SMILES ONC(=O)CCCCCNc1c(NC2CCCCC2)c(=O)c1=O
Show InChI InChI=1S/C16H25N3O4/c20-12(19-23)9-5-2-6-10-17-13-14(16(22)15(13)21)18-11-7-3-1-4-8-11/h11,17-18,23H,1-10H2,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Nestle Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using Fluor de Lys as substrate after 2 hrs by fluorescence method


Bioorg Med Chem Lett 28: 2985-2992 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.029
BindingDB Entry DOI: 10.7270/Q2M0484T
More data for this
Ligand-Target Pair