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BDBM50361265 CHEMBL1934907

SMILES: ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc2cc3ccccc3cc2c1

InChI Key: InChIKey=JUVWQWOADPQPFM-UHFFFAOYSA-N

Data: 5 Kd

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

Found 5 hits for monomerid = 50361265   
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....)
BDBM50361265
PNG
(CHEMBL1934907)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc2cc3ccccc3cc2c1
Show InChI InChI=1S/C22H12F12N2O3/c23-17(24,19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)16(38)36-39)15(37)35-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9,39H,(H,35,37)(H,36,38)
PDB
MMDB

UniProtKB/SwissProt

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DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 9.10E+3n/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))
BDBM50361265
PNG
(CHEMBL1934907)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc2cc3ccccc3cc2c1
Show InChI InChI=1S/C22H12F12N2O3/c23-17(24,19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)16(38)36-39)15(37)35-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9,39H,(H,35,37)(H,36,38)
PDB
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 6.50E+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))
BDBM50361265
PNG
(CHEMBL1934907)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc2cc3ccccc3cc2c1
Show InChI InChI=1S/C22H12F12N2O3/c23-17(24,19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)16(38)36-39)15(37)35-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9,39H,(H,35,37)(H,36,38)
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PC sid
UniChem

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Article
PubMed
n/an/an/a 6.00E+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))
BDBM50361265
PNG
(CHEMBL1934907)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc2cc3ccccc3cc2c1
Show InChI InChI=1S/C22H12F12N2O3/c23-17(24,19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)16(38)36-39)15(37)35-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9,39H,(H,35,37)(H,36,38)
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UniChem

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Article
PubMed
n/an/an/a 3.80E+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))
BDBM50361265
PNG
(CHEMBL1934907)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc2cc3ccccc3cc2c1
Show InChI InChI=1S/C22H12F12N2O3/c23-17(24,19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)16(38)36-39)15(37)35-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9,39H,(H,35,37)(H,36,38)
PDB
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a>1.00E+5n/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