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BDBM50361258 CHEMBL1934900

SMILES: ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc2ccc3cccc4ccc1c2c34

InChI Key: InChIKey=GESAHKRRNZDSAD-UHFFFAOYSA-N

Data: 5 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50361258   
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-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
BDBM50361258
PNG
(CHEMBL1934900)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc2ccc3cccc4ccc1c2c34
Show InChI InChI=1S/C24H12F12N2O3/c25-19(26,21(29,30)23(33,34)24(35,36)22(31,32)20(27,28)18(40)38-41)17(39)37-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,41H,(H,37,39)(H,38,40)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 600n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)


Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50361258
PNG
(CHEMBL1934900)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc2ccc3cccc4ccc1c2c34
Show InChI InChI=1S/C24H12F12N2O3/c25-19(26,21(29,30)23(33,34)24(35,36)22(31,32)20(27,28)18(40)38-41)17(39)37-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,41H,(H,37,39)(H,38,40)
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 2.20E+4n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)


Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM50361258
PNG
(CHEMBL1934900)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc2ccc3cccc4ccc1c2c34
Show InChI InChI=1S/C24H12F12N2O3/c25-19(26,21(29,30)23(33,34)24(35,36)22(31,32)20(27,28)18(40)38-41)17(39)37-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,41H,(H,37,39)(H,38,40)
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UniChem

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Article
PubMed
n/an/an/a 4.70E+4n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)


Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC
More data for this
Ligand-Target Pair
Histone deacetylase 7 (HDAC7)


(Homo sapiens (human))
BDBM50361258
PNG
(CHEMBL1934900)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc2ccc3cccc4ccc1c2c34
Show InChI InChI=1S/C24H12F12N2O3/c25-19(26,21(29,30)23(33,34)24(35,36)22(31,32)20(27,28)18(40)38-41)17(39)37-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,41H,(H,37,39)(H,38,40)
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Article
PubMed
n/an/an/a 7.50E+4n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC7 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)


Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50361258
PNG
(CHEMBL1934900)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc2ccc3cccc4ccc1c2c34
Show InChI InChI=1S/C24H12F12N2O3/c25-19(26,21(29,30)23(33,34)24(35,36)22(31,32)20(27,28)18(40)38-41)17(39)37-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,41H,(H,37,39)(H,38,40)
PDB
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.70E+4n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)


Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC
More data for this
Ligand-Target Pair