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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM473794'   
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 1


(Homo sapiens (Human))
BDBM473794
PNG
(N-hydroxy-2-((2-methoxy-5-(trifluoromethyl)benzyl)...)
Show SMILES COc1ccc(cc1CNc1ncc(cn1)C(=O)NO)C(F)(F)F
Show InChI InChI=1S/C14H13F3N4O3/c1-24-11-3-2-10(14(15,16)17)4-8(11)5-18-13-19-6-9(7-20-13)12(22)21-23/h2-4,6-7,23H,5H2,1H3,(H,21,22)(H,18,19,20)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 68n/an/an/an/an/an/a



REGENACY PHARMACEUTICALS, LLC

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US10858323 (2020)


BindingDB Entry DOI: 10.7270/Q2W09918
More data for this
Ligand-Target Pair