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SMILES: Cc1ccc(NC(=O)c2ccc3Sc4ccccc4N(Cc4ccc(cc4)C(=O)NO)c3c2)nc1

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50570678   
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))
BDBM50570678
PNG
(CHEMBL4861336)
Show SMILES Cc1ccc(NC(=O)c2ccc3Sc4ccccc4N(Cc4ccc(cc4)C(=O)NO)c3c2)nc1
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extracts using Boc-Lys (acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50570678
PNG
(CHEMBL4861336)
Show SMILES Cc1ccc(NC(=O)c2ccc3Sc4ccccc4N(Cc4ccc(cc4)C(=O)NO)c3c2)nc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.81E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged and C-terminal His-tagged human HDAC4 (627 to 1084 residues) expressed in baculovirus infected Sf9 cells using Bo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50570678
PNG
(CHEMBL4861336)
Show SMILES Cc1ccc(NC(=O)c2ccc3Sc4ccccc4N(Cc4ccc(cc4)C(=O)NO)c3c2)nc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 396n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50570678
PNG
(CHEMBL4861336)
Show SMILES Cc1ccc(NC(=O)c2ccc3Sc4ccccc4N(Cc4ccc(cc4)C(=O)NO)c3c2)nc1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus-infected Sf9 cells using Boc Lys(TFA)-AMC as substrat...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50570678
PNG
(CHEMBL4861336)
Show SMILES Cc1ccc(NC(=O)c2ccc3Sc4ccccc4N(Cc4ccc(cc4)C(=O)NO)c3c2)nc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 610n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus-infected Sf9 cells using Boc Lys(TFA)-AMC as substrate...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair