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BDBM50457639 CHEMBL4208421

SMILES: CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)C(=O)NO)n1

InChI Key: InChIKey=OGJTWTLOVZKAOI-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50457639   
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


(Homo sapiens (Human))
BDBM50457639
PNG
(CHEMBL4208421)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)C(=O)NO)n1
Show InChI InChI=1S/C22H23N7O2/c1-13-5-6-15(11-18(13)21(30)27-31)24-22-23-10-9-20(25-22)28(3)16-7-8-17-14(2)29(4)26-19(17)12-16/h5-12,31H,1-4H3,(H,27,30)(H,23,24,25)
PDB

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GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using fluorogenic Boc-Lys(acetyl)-AMC as substrate preincubated for 5 mins followed by substrat...


J Med Chem 61: 5304-5322 (2018)


BindingDB Entry DOI: 10.7270/Q2QV3Q3X
More data for this
Ligand-Target Pair