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Compile Data Set for Download or QSAR

Found 6 hits of kd data for polymerid = 50006775,6107   
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 4


(Homo sapiens (Human))
BDBM50565139
PNG
(Tasquinimod)
Show SMILES COc1cccc2n(C)c(=O)c(C(=O)N(C)c3ccc(cc3)C(F)(F)F)c(O)c12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 10n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113877
BindingDB Entry DOI: 10.7270/Q2PK0M78
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50565139
PNG
(Tasquinimod)
Show SMILES COc1cccc2n(C)c(=O)c(C(=O)N(C)c3ccc(cc3)C(F)(F)F)c(O)c12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 10n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human full length N-terminal GST-tagged HDAC4 by surface plasmon resonance analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00830
BindingDB Entry DOI: 10.7270/Q2F76H9K
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50160879
PNG
(CHEMBL3793392 | US9505736, (1S,2S,3S)-1-Fluoro-2-(...)
Show SMILES ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1ncc(F)cn1)c1ccccc1 |r|
Show InChI InChI=1S/C20H15F2N3O2/c21-15-10-23-18(24-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)20(17,22)19(26)25-27/h1-11,16-17,27H,(H,25,26)/t16-,17-,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PDB
Article
PubMed
n/an/an/a 20n/an/an/an/an/a



BioFocus

Curated by ChEMBL


Assay Description
Binding affinity to HDAC4 catalytic domain (unknown origin) by surface plasmon resonance assay


ACS Med Chem Lett 7: 34-9 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00302
BindingDB Entry DOI: 10.7270/Q22Z17DJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 4


(Homo sapiens (Human))
BDBM162846
PNG
(US9056843, 137)
Show SMILES CCCN(CCC)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C19H25F3N4O2/c1-4-10-26(11-5-2)12-13(3)23-17(27)15-8-6-14(7-9-15)16-24-18(28-25-16)19(20,21)22/h6-9,13H,4-5,10-12H2,1-3H3,(H,23,27)/t13-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 44n/an/an/an/an/a


TBA

Assay Description
Binding affinity to immobilized HDAC4 catalytic domain (unknown origin) by surface plasmon resonance 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))
BDBM50503692
PNG
(CHEMBL4437833)
Show SMILES Cc1ncc(cn1)-c1ccc(cc1)C(C(=O)NO)c1ccccc1F
Show InChI InChI=1S/C19H16FN3O2/c1-12-21-10-15(11-22-12)13-6-8-14(9-7-13)18(19(24)23-25)16-4-2-3-5-17(16)20/h2-11,18,25H,1H3,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 80n/an/an/an/an/a



Charles River Discovery (previously BioFocus)

Curated by ChEMBL


Assay Description
Binding affinity to HDAC4 catalytic domain (648 to 1057 residues) (unknown origin) by surface plasmon resonance analysis


Bioorg Med Chem Lett 29: 83-88 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.009
BindingDB Entry DOI: 10.7270/Q2G44TJZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50503690
PNG
(CHEMBL4456445)
Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F
Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 112n/an/an/an/an/a



Charles River Discovery (previously BioFocus)

Curated by ChEMBL


Assay Description
Binding affinity to HDAC4 catalytic domain (648 to 1057 residues) (unknown origin) by surface plasmon resonance analysis


Bioorg Med Chem Lett 29: 83-88 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.009
BindingDB Entry DOI: 10.7270/Q2G44TJZ
More data for this
Ligand-Target Pair