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Compile Data Set for Download or QSAR

Found 2 hits from Beijing Union University   
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
n/an/a 65n/an/an/an/an/an/a



Beijing Union University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using H3(1-21)K9 after 60 mins by fluorescence assay


J Nat Prod 80: 201-204 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50235362
PNG
(CHEMBL4064947)
Show SMILES CC(C)C[C@]1(NC(=O)C[C@]1(C)O)C(N)=O
Show InChI InChI=1S/C10H18N2O3/c1-6(2)4-10(8(11)14)9(3,15)5-7(13)12-10/h6,15H,4-5H2,1-3H3,(H2,11,14)(H,12,13)/t9-,10-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Beijing Union University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using H3(1-21)K9 after 60 mins by fluorescence assay


J Nat Prod 80: 201-204 (2017)

More data for this
Ligand-Target Pair