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BDBM50527629 CHEMBL4459679

SMILES: CC[C@H](Nc1cc(C)nc(N)n1)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=JWAGEFMQZLEIOL-QFIPXVFZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50527629   
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
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50527629
PNG
(CHEMBL4459679)
Show SMILES CC[C@H](Nc1cc(C)nc(N)n1)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C30H30N8O3/c1-3-22(34-25-16-18(2)33-30(31)36-25)27-35-24-11-7-10-23(26(24)29(40)38(27)21-8-5-4-6-9-21)32-17-19-12-14-20(15-13-19)28(39)37-41/h4-16,22,32,41H,3,17H2,1-2H3,(H,37,39)(H3,31,33,34,36)/t22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1125 residues) expressed in baculovirus infected insect cells using fluorogenic pep...


J Med Chem 63: 4256-4292 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00193
More data for this
Ligand-Target Pair