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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor corepressor 1' and Ligand = 'BDBM50525178'   
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
Nuclear receptor corepressor 1


(Homo sapiens (Human))
BDBM50525178
PNG
(CHEMBL4437852)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSc2nccc(n2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H15F3N4OS/c20-19(21,22)16-9-10-24-18(26-16)28-11-12-5-7-13(8-6-12)17(27)25-15-4-2-1-3-14(15)23/h1-10H,11,23H2,(H,25,27)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 274n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3/NCOR1 assessed as decrease in deacetylation of FLUOR DE LYS SIRT1 substrate preincubated for 10 mins followed b...


Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair