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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50103602'   
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))
BDBM50103602
PNG
(CHEMBL3526396)
Show SMILES C[C@@]12Nc3ccccc3[C@]1(O)CCN2Cc1ccc(\C=C\C(N)=O)cc1 |r|
Show InChI InChI=1S/C21H23N3O2/c1-20-21(26,17-4-2-3-5-18(17)23-20)12-13-24(20)14-16-8-6-15(7-9-16)10-11-19(22)25/h2-11,23,26H,12-14H2,1H3,(H2,22,25)/b11-10+/t20-,21+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 970n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) expressed in HEK293 cells using [3H]acetylated human histone H4 peptide as substrate by scintillation counting


Drug Metab Dispos 40: 1041-50 (2012)


Article DOI: 10.1124/dmd.111.043620
BindingDB Entry DOI: 10.7270/Q2SF2XX8
More data for this
Ligand-Target Pair