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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50331109'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50331109
PNG
(6-(9H-carbazol-9-yl)-N-hydroxyhexanamide | CHEMBL1...)
Show SMILES ONC(=O)CCCCCn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C18H20N2O2/c21-18(19-22)12-2-1-7-13-20-16-10-5-3-8-14(16)15-9-4-6-11-17(15)20/h3-6,8-11,22H,1-2,7,12-13H2,(H,19,21)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.07E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-RHKK(Ac)-ACC as substrate by fluorometric analysis


Bioorg Med Chem Lett 20: 7067-70 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.100
BindingDB Entry DOI: 10.7270/Q2FN16FW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50331109
PNG
(6-(9H-carbazol-9-yl)-N-hydroxyhexanamide | CHEMBL1...)
Show SMILES ONC(=O)CCCCCn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C18H20N2O2/c21-18(19-22)12-2-1-7-13-20-16-10-5-3-8-14(16)15-9-4-6-11-17(15)20/h3-6,8-11,22H,1-2,7,12-13H2,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.40E+4n/an/an/an/a8.025



The Board of Trustees of The University of Illinois

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


US Patent US8748451 (2014)


BindingDB Entry DOI: 10.7270/Q26D5RPK
More data for this
Ligand-Target Pair