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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50561976'   
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 3


(Homo sapiens (Human))
BDBM50561976
PNG
(CHEMBL4752074)
Show SMILES CNC(=O)CCCCC[C@H](NC(=O)Cn1ccc2cc(ccc12)C#N)c1ncc(o1)-c1ccc(CN(C)C)cc1 |r|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length FLAG-tagged HDAC3 expressed in HEK293F cells in using BML-KI104 as substrate in presence of SAHA as inhib...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00462
BindingDB Entry DOI: 10.7270/Q2TH8RDR
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50561976
PNG
(CHEMBL4752074)
Show SMILES CNC(=O)CCCCC[C@H](NC(=O)Cn1ccc2cc(ccc12)C#N)c1ncc(o1)-c1ccc(CN(C)C)cc1 |r|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.36E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair