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BDBM50218532 CHEMBL112148

SMILES: FC(F)(F)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=LRVOZKXSFOOZRP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50218532   
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))
BDBM50218532
PNG
(CHEMBL112148)
Show SMILES FC(F)(F)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H21F3O2/c21-20(22,23)19(24)10-6-1-2-7-15-25-18-13-11-17(12-14-18)16-8-4-3-5-9-16/h3-5,8-9,11-14H,1-2,6-7,10,15H2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) in K 562 erythroleukemia cells


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))
BDBM50218532
PNG
(CHEMBL112148)
Show SMILES FC(F)(F)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H21F3O2/c21-20(22,23)19(24)10-6-1-2-7-15-25-18-13-11-17(12-14-18)16-8-4-3-5-9-16/h3-5,8-9,11-14H,1-2,6-7,10,15H2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 2.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mixture of histone deacetylase 1 (HDAC1) and histone deacetylase 2 (HDAC2) from nuclear extraction of K562 erythroleukemi...


Bioorg Med Chem Lett 13: 3331-5 (2003)


BindingDB Entry DOI: 10.7270/Q2MG7RQ6
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))
BDBM50218532
PNG
(CHEMBL112148)
Show SMILES FC(F)(F)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H21F3O2/c21-20(22,23)19(24)10-6-1-2-7-15-25-18-13-11-17(12-14-18)16-8-4-3-5-9-16/h3-5,8-9,11-14H,1-2,6-7,10,15H2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 2.90E+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)


BindingDB Entry DOI: 10.7270/Q26D5W6Z
More data for this
Ligand-Target Pair