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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 4' and Ligand = 'BDBM162840'   
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 4


(Homo sapiens (Human))
BDBM162840
PNG
(US9056843, 131)
Show SMILES C[C@H](CN1CCCCC1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C18H21F3N4O2/c1-12(11-25-9-3-2-4-10-25)22-16(26)14-7-5-13(6-8-14)15-23-17(27-24-15)18(19,20)21/h5-8,12H,2-4,9-11H2,1H3,(H,22,26)/t12-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 10n/an/an/an/a8.025



NOVARTIS AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9056843 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PG8
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM162840
PNG
(US9056843, 131)
Show SMILES C[C@H](CN1CCCCC1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C18H21F3N4O2/c1-12(11-25-9-3-2-4-10-25)22-16(26)14-7-5-13(6-8-14)15-23-17(27-24-15)18(19,20)21/h5-8,12H,2-4,9-11H2,1H3,(H,22,26)/t12-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC4 (unknown origin) using Boc Lys(TFA) as substrate by fluorogenic assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00532
BindingDB Entry DOI: 10.7270/Q2474FHW
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM162840
PNG
(US9056843, 131)
Show SMILES C[C@H](CN1CCCCC1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C18H21F3N4O2/c1-12(11-25-9-3-2-4-10-25)22-16(26)14-7-5-13(6-8-14)15-23-17(27-24-15)18(19,20)21/h5-8,12H,2-4,9-11H2,1H3,(H,22,26)/t12-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Class 2A HDAC4 in human Jurkat E6.1 cells using Boc-Lys-(TFA)-AMC as substrate by fluorogenic assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00532
BindingDB Entry DOI: 10.7270/Q2474FHW
More data for this
Ligand-Target Pair