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BDBM25153 ethyl 5-(2,2,2-trifluoroacetyl)thiophene-2-carboxylate::thiophene derivative, 1

SMILES: CCOC(=O)c1ccc(s1)C(=O)C(F)(F)F

InChI Key: InChIKey=OCKQIBUJPOSIOM-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 25153   
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))
BDBM25153
PNG
(ethyl 5-(2,2,2-trifluoroacetyl)thiophene-2-carboxy...)
Show SMILES CCOC(=O)c1ccc(s1)C(=O)C(F)(F)F
Show InChI InChI=1S/C9H7F3O3S/c1-2-15-8(14)6-4-3-5(16-6)7(13)9(10,11)12/h3-4H,2H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.70E+3n/an/an/an/a8.037



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM25153
PNG
(ethyl 5-(2,2,2-trifluoroacetyl)thiophene-2-carboxy...)
Show SMILES CCOC(=O)c1ccc(s1)C(=O)C(F)(F)F
Show InChI InChI=1S/C9H7F3O3S/c1-2-15-8(14)6-4-3-5(16-6)7(13)9(10,11)12/h3-4H,2H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM25153
PNG
(ethyl 5-(2,2,2-trifluoroacetyl)thiophene-2-carboxy...)
Show SMILES CCOC(=O)c1ccc(s1)C(=O)C(F)(F)F
Show InChI InChI=1S/C9H7F3O3S/c1-2-15-8(14)6-4-3-5(16-6)7(13)9(10,11)12/h3-4H,2H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 550n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM25153
PNG
(ethyl 5-(2,2,2-trifluoroacetyl)thiophene-2-carboxy...)
Show SMILES CCOC(=O)c1ccc(s1)C(=O)C(F)(F)F
Show InChI InChI=1S/C9H7F3O3S/c1-2-15-8(14)6-4-3-5(16-6)7(13)9(10,11)12/h3-4H,2H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 320n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
More data for this
Ligand-Target Pair
Histone Deacetylase 4 (HDAC4) Mutant (H976Y)


(Homo sapiens (Human))
BDBM25153
PNG
(ethyl 5-(2,2,2-trifluoroacetyl)thiophene-2-carboxy...)
Show SMILES CCOC(=O)c1ccc(s1)C(=O)C(F)(F)F
Show InChI InChI=1S/C9H7F3O3S/c1-2-15-8(14)6-4-3-5(16-6)7(13)9(10,11)12/h3-4H,2H2,1H3
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 350n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
More data for this
Ligand-Target Pair