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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 9' and Ligand = 'BDBM50273526'   
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 9


(Homo sapiens (Human))
BDBM50273526
PNG
(CHEMBL4126661 | US11535607, Example 22-8)
Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1cnc(cn1)C(F)(F)F
Show InChI InChI=1S/C16H15F3N4O2/c1-15(2)11-5-3-4-9(14(24)22-25)10(11)8-23(15)13-7-20-12(6-21-13)16(17,18)19/h3-7,25H,8H2,1-2H3,(H,22,24)
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MCE
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Activity was measured using electrophoretic mobility shift assays with full length human recombinant HDAC proteins and fluorescently labeled peptide ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2M330NW
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50273526
PNG
(CHEMBL4126661 | US11535607, Example 22-8)
Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1cnc(cn1)C(F)(F)F
Show InChI InChI=1S/C16H15F3N4O2/c1-15(2)11-5-3-4-9(14(24)22-25)10(11)8-23(15)13-7-20-12(6-21-13)16(17,18)19/h3-7,25H,8H2,1-2H3,(H,22,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



FORMA Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC9 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay


Bioorg Med Chem Lett 28: 2143-2147 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.021
BindingDB Entry DOI: 10.7270/Q2PR7ZGX
More data for this
Ligand-Target Pair