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BDBM50119287 CHEMBL3617543

SMILES: OC(=O)c1cccc(=S)n1O

InChI Key: InChIKey=BNYCWOPXGQKREA-UHFFFAOYSA-N

Data: 8 IC50

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 8 hits for monomerid = 50119287   
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 6


(Homo sapiens (Human))
BDBM50119287
PNG
(CHEMBL3617543)
Show SMILES OC(=O)c1cccc(=S)n1O
Show InChI InChI=1S/C6H5NO3S/c8-6(9)4-2-1-3-5(11)7(4)10/h1-3,10H,(H,8,9)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 150n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using RHKK(Ac) fluorogenic acetylated peptide substrate by fluorometric assay


Bioorg Med Chem Lett 25: 4320-4 (2015)


BindingDB Entry DOI: 10.7270/Q2930VZB
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50119287
PNG
(CHEMBL3617543)
Show SMILES OC(=O)c1cccc(=S)n1O
Show InChI InChI=1S/C6H5NO3S/c8-6(9)4-2-1-3-5(11)7(4)10/h1-3,10H,(H,8,9)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) using RHK(Ac)K(Ac) fluorogenic acetylated peptide substrate by fluorometric assay


Bioorg Med Chem Lett 25: 4320-4 (2015)


BindingDB Entry DOI: 10.7270/Q2930VZB
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50119287
PNG
(CHEMBL3617543)
Show SMILES OC(=O)c1cccc(=S)n1O
Show InChI InChI=1S/C6H5NO3S/c8-6(9)4-2-1-3-5(11)7(4)10/h1-3,10H,(H,8,9)
PDB
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 7.10E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) using RHKK(Ac) fluorogenic acetylated peptide substrate by fluorometric assay


Bioorg Med Chem Lett 25: 4320-4 (2015)


BindingDB Entry DOI: 10.7270/Q2930VZB
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50119287
PNG
(CHEMBL3617543)
Show SMILES OC(=O)c1cccc(=S)n1O
Show InChI InChI=1S/C6H5NO3S/c8-6(9)4-2-1-3-5(11)7(4)10/h1-3,10H,(H,8,9)
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PC cid
PC sid
UniChem
PubMed
n/an/a 4.70E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HDAC9 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC fluorogenic acetylated peptide substrate by fluorometric assay


Bioorg Med Chem Lett 25: 4320-4 (2015)


BindingDB Entry DOI: 10.7270/Q2930VZB
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50119287
PNG
(CHEMBL3617543)
Show SMILES OC(=O)c1cccc(=S)n1O
Show InChI InChI=1S/C6H5NO3S/c8-6(9)4-2-1-3-5(11)7(4)10/h1-3,10H,(H,8,9)
KEGG

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HDAC5 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC fluorogenic acetylated peptide substrate by fluorometric assay


Bioorg Med Chem Lett 25: 4320-4 (2015)


BindingDB Entry DOI: 10.7270/Q2930VZB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50119287
PNG
(CHEMBL3617543)
Show SMILES OC(=O)c1cccc(=S)n1O
Show InChI InChI=1S/C6H5NO3S/c8-6(9)4-2-1-3-5(11)7(4)10/h1-3,10H,(H,8,9)
PDB
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.30E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using RHKK(Ac) fluorogenic acetylated peptide substrate by fluorometric assay


Bioorg Med Chem Lett 25: 4320-4 (2015)


BindingDB Entry DOI: 10.7270/Q2930VZB
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50119287
PNG
(CHEMBL3617543)
Show SMILES OC(=O)c1cccc(=S)n1O
Show InChI InChI=1S/C6H5NO3S/c8-6(9)4-2-1-3-5(11)7(4)10/h1-3,10H,(H,8,9)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HDAC7 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC fluorogenic acetylated peptide substrate by fluorometric assay


Bioorg Med Chem Lett 25: 4320-4 (2015)


BindingDB Entry DOI: 10.7270/Q2930VZB
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50119287
PNG
(CHEMBL3617543)
Show SMILES OC(=O)c1cccc(=S)n1O
Show InChI InChI=1S/C6H5NO3S/c8-6(9)4-2-1-3-5(11)7(4)10/h1-3,10H,(H,8,9)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 7.10E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HDAC4 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC fluorogenic acetylated peptide substrate by fluorometric assay


Bioorg Med Chem Lett 25: 4320-4 (2015)


BindingDB Entry DOI: 10.7270/Q2930VZB
More data for this
Ligand-Target Pair