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BDBM50232357 CHEMBL4077893

SMILES: CN(C)Cc1cn(c2ccccc12)S(=O)(=O)c1ccc(\C=C\C(=O)NO)cc1

InChI Key: InChIKey=UFORSOOAXZIENX-FMIVXFBMSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50232357   
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 1


(Homo sapiens (Human))
BDBM50232357
PNG
(CHEMBL4077893)
Show SMILES CN(C)Cc1cn(c2ccccc12)S(=O)(=O)c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C20H21N3O4S/c1-22(2)13-16-14-23(19-6-4-3-5-18(16)19)28(26,27)17-10-7-15(8-11-17)9-12-20(24)21-25/h3-12,14,25H,13H2,1-2H3,(H,21,24)/b12-9+
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant C-terminal FLAG-His-tagged HDAC1 expressed in Sf21 cells using RHKK(Ac) as substrate after 60 mins by flu...


Eur J Med Chem 127: 115-127 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.039
BindingDB Entry DOI: 10.7270/Q20K2BT4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50232357
PNG
(CHEMBL4077893)
Show SMILES CN(C)Cc1cn(c2ccccc12)S(=O)(=O)c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C20H21N3O4S/c1-22(2)13-16-14-23(19-6-4-3-5-18(16)19)28(26,27)17-10-7-15(8-11-17)9-12-20(24)21-25/h3-12,14,25H,13H2,1-2H3,(H,21,24)/b12-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in Sf9 cells using RHKK(Ac) as substrate after 90 mins by fluorimet...


Eur J Med Chem 127: 115-127 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.039
BindingDB Entry DOI: 10.7270/Q20K2BT4
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232357
PNG
(CHEMBL4077893)
Show SMILES CN(C)Cc1cn(c2ccccc12)S(=O)(=O)c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C20H21N3O4S/c1-22(2)13-16-14-23(19-6-4-3-5-18(16)19)28(26,27)17-10-7-15(8-11-17)9-12-20(24)21-25/h3-12,14,25H,13H2,1-2H3,(H,21,24)/b12-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.70n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant C-terminal GST-tagged HDAC2 expressed in insect cells using RHKK(Ac) as substrate after 60 mins by fluori...


Eur J Med Chem 127: 115-127 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.039
BindingDB Entry DOI: 10.7270/Q20K2BT4
More data for this
Ligand-Target Pair