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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50242196   
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 6


(Homo sapiens (Human))
BDBM50242196
PNG
(CHEMBL4069423)
Show SMILES OC(=O)CCc1nc2cc(Cl)ccc2s1
Show InChI InChI=1S/C10H8ClNO2S/c11-6-1-2-8-7(5-6)12-9(15-8)3-4-10(13)14/h1-2,5H,3-4H2,(H,13,14)
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 5.50E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50242196
PNG
(CHEMBL4069423)
Show SMILES OC(=O)CCc1nc2cc(Cl)ccc2s1
Show InChI InChI=1S/C10H8ClNO2S/c11-6-1-2-8-7(5-6)12-9(15-8)3-4-10(13)14/h1-2,5H,3-4H2,(H,13,14)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 5.50E+4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 5%DMSO


J Med Chem 60: 9090-9096 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00933
BindingDB Entry DOI: 10.7270/Q2M32Z5T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)