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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 = 'BDBM50380403'   
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))
BDBM50380403
PNG
(CHEMBL2018298)
Show SMILES CN1CCc2c(C1)c1cc(ccc1n2Cc1ccc(cc1)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C24H29N3O2/c1-24(2,3)18-9-10-21-19(13-18)20-15-26(4)12-11-22(20)27(21)14-16-5-7-17(8-6-16)23(28)25-29/h5-10,13,29H,11-12,14-15H2,1-4H3,(H,25,28)
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.41E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair