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BDBM50235701 CHEMBL4098910

SMILES: Cc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)c1

InChI Key: InChIKey=KNFFIUMUAMRWOD-UHFFFAOYSA-N

Data: 6 KI

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 6 hits for monomerid = 50235701   
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 1


(Homo sapiens (Human))
BDBM50235701
PNG
(CHEMBL4098910)
Show SMILES Cc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)c1
Show InChI InChI=1S/C15H10F12N2O3/c1-6-3-2-4-7(5-6)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
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PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by trypsi...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50235701
PNG
(CHEMBL4098910)
Show SMILES Cc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)c1
Show InChI InChI=1S/C15H10F12N2O3/c1-6-3-2-4-7(5-6)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
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PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibitory potency against Varicella zoster virus ribonucleotide reductase


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50235701
PNG
(CHEMBL4098910)
Show SMILES Cc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)c1
Show InChI InChI=1S/C15H10F12N2O3/c1-6-3-2-4-7(5-6)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
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PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement.


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50235701
PNG
(CHEMBL4098910)
Show SMILES Cc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)c1
Show InChI InChI=1S/C15H10F12N2O3/c1-6-3-2-4-7(5-6)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
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MMDB

KEGG

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GoogleScholar
PC cid
PC sid
UniChem

Patents


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PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 m...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50235701
PNG
(CHEMBL4098910)
Show SMILES Cc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)c1
Show InChI InChI=1S/C15H10F12N2O3/c1-6-3-2-4-7(5-6)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement.


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50235701
PNG
(CHEMBL4098910)
Show SMILES Cc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)c1
Show InChI InChI=1S/C15H10F12N2O3/c1-6-3-2-4-7(5-6)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7 using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 m...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair