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BDBM25181 N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide::thiophene derivative, 27g

SMILES: FC(F)(F)C(=O)c1csc(c1)C(=O)NCC1CCCCC1

InChI Key: InChIKey=BBSBLQQJLHVBBD-UHFFFAOYSA-N

Data: 3 IC50  2 Other

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 = 25181   
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))
BDBM25181
PNG
(N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thio...)
Show SMILES FC(F)(F)C(=O)c1csc(c1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C14H16F3NO2S/c15-14(16,17)12(19)10-6-11(21-8-10)13(20)18-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,18,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/a25



IRBM/Merck Research Laboratories



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
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM25181
PNG
(N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thio...)
Show SMILES FC(F)(F)C(=O)c1csc(c1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C14H16F3NO2S/c15-14(16,17)12(19)10-6-11(21-8-10)13(20)18-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,18,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/an/an/an/a8.037



IRBM/Merck Research Laboratories



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
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM25181
PNG
(N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thio...)
Show SMILES FC(F)(F)C(=O)c1csc(c1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C14H16F3NO2S/c15-14(16,17)12(19)10-6-11(21-8-10)13(20)18-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,18,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/a25



IRBM/Merck Research Laboratories



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
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone Deacetylase 4 (HDAC4) Mutant (H976Y)


(Homo sapiens (Human))
BDBM25181
PNG
(N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thio...)
Show SMILES FC(F)(F)C(=O)c1csc(c1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C14H16F3NO2S/c15-14(16,17)12(19)10-6-11(21-8-10)13(20)18-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,18,20)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/a25



IRBM/Merck Research Laboratories



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
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM25181
PNG
(N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thio...)
Show SMILES FC(F)(F)C(=O)c1csc(c1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C14H16F3NO2S/c15-14(16,17)12(19)10-6-11(21-8-10)13(20)18-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,18,20)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/an/an/an/an/a25



IRBM/Merck Research Laboratories



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
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair