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BDBM50121062 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE::9,9,9-Trifluoro-8-oxo-nonanoic acid phenylamide::CHEMBL113537

SMILES: FC(F)(F)C(=O)CCCCCCC(=O)Nc1ccccc1

InChI Key: InChIKey=KRCXZGYVOZSCSF-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 50121062   
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))
BDBM50121062
PNG
(9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | 9,9,9-T...)
Show SMILES FC(F)(F)C(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C15H18F3NO2/c16-15(17,18)13(20)10-6-1-2-7-11-14(21)19-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,19,21)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 6.70E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human histone deacetylase (HDAC) using HeLa nuclear extract


Bioorg Med Chem Lett 14: 3313-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.063
BindingDB Entry DOI: 10.7270/Q28054SZ
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50121062
PNG
(9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | 9,9,9-T...)
Show SMILES FC(F)(F)C(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C15H18F3NO2/c16-15(17,18)13(20)10-6-1-2-7-11-14(21)19-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 6.70E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human histone deacetylase (mixture of HDAC1 and HDAC2) prepared from K562 erythroleukemia cells.


Bioorg Med Chem Lett 12: 3443-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00754-0
BindingDB Entry DOI: 10.7270/Q26D5W6Z
More data for this
Ligand-Target Pair
Acetylpolyamine amidohydrolase (APAH)


(Mycoplana ramosa (Gram-negative bacterium))
BDBM50121062
PNG
(9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | 9,9,9-T...)
Show SMILES FC(F)(F)C(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C15H18F3NO2/c16-15(17,18)13(20)10-6-1-2-7-11-14(21)19-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,19,21)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 1.10E+5n/an/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Inhibition of Mycoplana ramosa acetylpolyamine amidohydrolase assessed as substrate deacetylation using L-Lys(epsilon-acetyl)-coumarin as substrate p...


Bioorg Med Chem Lett 21: 5854-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.100
BindingDB Entry DOI: 10.7270/Q2KS6RZR
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50121062
PNG
(9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | 9,9,9-T...)
Show SMILES FC(F)(F)C(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C15H18F3NO2/c16-15(17,18)13(20)10-6-1-2-7-11-14(21)19-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 assessed as substrate deacetylation using N-acetyl-L-Arg-LHis-L-Lys(epsilon-acetyl)-L-Lys(epsilon-acetyl)-coumarin as substrate p...


Bioorg Med Chem Lett 21: 5854-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.100
BindingDB Entry DOI: 10.7270/Q2KS6RZR
More data for this
Ligand-Target Pair