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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 = 'BDBM50005015'   
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))
BDBM50005015
PNG
(CHEMBL2408780)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cnnn1CCCCCCCC(=O)NO
Show InChI InChI=1S/C27H28ClN9O2/c28-20-12-10-18(11-13-20)25-24-26(29)30-17-31-27(24)37(33-25)21-8-6-7-19(15-21)22-16-32-35-36(22)14-5-3-1-2-4-9-23(38)34-39/h6-8,10-13,15-17,39H,1-5,9,14H2,(H,34,38)(H2,29,30,31)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.80n/an/an/an/an/an/an/an/a



Department of Chemistry, University of Michigan, 930 N. University Avenue, Ann Arbor, Michigan 48109, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using Ac-Leu-Gly-Lys(Ac)AMCA as substrate after 30 mins by fluorescence assay


ACS Med Chem Lett 4: 779-783 (2013)


Article DOI: 10.1021/ml400175d
BindingDB Entry DOI: 10.7270/Q2CZ38KR
More data for this
Ligand-Target Pair