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BDBM50235703 CHEMBL4066515

SMILES: CN(C)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1

InChI Key: InChIKey=KKMDVAKOVBBMGZ-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 = 50235703   
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
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50235703
PNG
(CHEMBL4066515)
Show SMILES CN(C)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1
Show InChI InChI=1S/C16H13F12N3O3/c1-31(2)8-5-3-7(4-6-8)29-9(32)11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)10(33)30-34/h3-6,34H,1-2H3,(H,29,32)(H,30,33)
PDB
MMDB

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Article
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)


Article DOI: 10.1016/j.bmcl.2017.02.050
BindingDB Entry DOI: 10.7270/Q2JD502H
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50235703
PNG
(CHEMBL4066515)
Show SMILES CN(C)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1
Show InChI InChI=1S/C16H13F12N3O3/c1-31(2)8-5-3-7(4-6-8)29-9(32)11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)10(33)30-34/h3-6,34H,1-2H3,(H,29,32)(H,30,33)
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Article
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)


Article DOI: 10.1016/j.bmcl.2017.02.050
BindingDB Entry DOI: 10.7270/Q2JD502H
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50235703
PNG
(CHEMBL4066515)
Show SMILES CN(C)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1
Show InChI InChI=1S/C16H13F12N3O3/c1-31(2)8-5-3-7(4-6-8)29-9(32)11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)10(33)30-34/h3-6,34H,1-2H3,(H,29,32)(H,30,33)
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Article
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)


Article DOI: 10.1016/j.bmcl.2017.02.050
BindingDB Entry DOI: 10.7270/Q2JD502H
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50235703
PNG
(CHEMBL4066515)
Show SMILES CN(C)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1
Show InChI InChI=1S/C16H13F12N3O3/c1-31(2)8-5-3-7(4-6-8)29-9(32)11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)10(33)30-34/h3-6,34H,1-2H3,(H,29,32)(H,30,33)
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Article
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 HDAC8 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)


Article DOI: 10.1016/j.bmcl.2017.02.050
BindingDB Entry DOI: 10.7270/Q2JD502H
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50235703
PNG
(CHEMBL4066515)
Show SMILES CN(C)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1
Show InChI InChI=1S/C16H13F12N3O3/c1-31(2)8-5-3-7(4-6-8)29-9(32)11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)10(33)30-34/h3-6,34H,1-2H3,(H,29,32)(H,30,33)
KEGG

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
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 HDAC5 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)


Article DOI: 10.1016/j.bmcl.2017.02.050
BindingDB Entry DOI: 10.7270/Q2JD502H
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50235703
PNG
(CHEMBL4066515)
Show SMILES CN(C)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1
Show InChI InChI=1S/C16H13F12N3O3/c1-31(2)8-5-3-7(4-6-8)29-9(32)11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)10(33)30-34/h3-6,34H,1-2H3,(H,29,32)(H,30,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
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)


Article DOI: 10.1016/j.bmcl.2017.02.050
BindingDB Entry DOI: 10.7270/Q2JD502H
More data for this
Ligand-Target Pair