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BDBM50027520 CHEMBL3353927

SMILES: FC(F)(F)c1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@H]2CCC(=O)N2)c1

InChI Key: InChIKey=CXRLQBYGPWEWJP-LSDHHAIUSA-N

Data: 14 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 14 hits for monomerid = 50027520   
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 3


(Homo sapiens (Human))
BDBM50027520
PNG
(CHEMBL3353927)
Show SMILES FC(F)(F)c1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@H]2CCC(=O)N2)c1 |r|
Show InChI InChI=1S/C19H24F3N3O3S/c20-19(21,22)12-5-4-6-13(11-12)23-17(27)14(7-2-1-3-10-29)25-18(28)15-8-9-16(26)24-15/h4-6,11,14-15,29H,1-3,7-10H2,(H,23,27)(H,24,26)(H,25,28)/t14-,15+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50027520
PNG
(CHEMBL3353927)
Show SMILES FC(F)(F)c1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@H]2CCC(=O)N2)c1 |r|
Show InChI InChI=1S/C19H24F3N3O3S/c20-19(21,22)12-5-4-6-13(11-12)23-17(27)14(7-2-1-3-10-29)25-18(28)15-8-9-16(26)24-15/h4-6,11,14-15,29H,1-3,7-10H2,(H,23,27)(H,24,26)(H,25,28)/t14-,15+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50027520
PNG
(CHEMBL3353927)
Show SMILES FC(F)(F)c1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@H]2CCC(=O)N2)c1 |r|
Show InChI InChI=1S/C19H24F3N3O3S/c20-19(21,22)12-5-4-6-13(11-12)23-17(27)14(7-2-1-3-10-29)25-18(28)15-8-9-16(26)24-15/h4-6,11,14-15,29H,1-3,7-10H2,(H,23,27)(H,24,26)(H,25,28)/t14-,15+/m0/s1
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n/an/a 316n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) using fluorogenic tetrapeptide RHK(Ac)K(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50027520
PNG
(CHEMBL3353927)
Show SMILES FC(F)(F)c1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@H]2CCC(=O)N2)c1 |r|
Show InChI InChI=1S/C19H24F3N3O3S/c20-19(21,22)12-5-4-6-13(11-12)23-17(27)14(7-2-1-3-10-29)25-18(28)15-8-9-16(26)24-15/h4-6,11,14-15,29H,1-3,7-10H2,(H,23,27)(H,24,26)(H,25,28)/t14-,15+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50027520
PNG
(CHEMBL3353927)
Show SMILES FC(F)(F)c1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@H]2CCC(=O)N2)c1 |r|
Show InChI InChI=1S/C19H24F3N3O3S/c20-19(21,22)12-5-4-6-13(11-12)23-17(27)14(7-2-1-3-10-29)25-18(28)15-8-9-16(26)24-15/h4-6,11,14-15,29H,1-3,7-10H2,(H,23,27)(H,24,26)(H,25,28)/t14-,15+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 10


(Homo sapiens (Human))
BDBM50027520
PNG
(CHEMBL3353927)
Show SMILES FC(F)(F)c1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@H]2CCC(=O)N2)c1 |r|
Show InChI InChI=1S/C19H24F3N3O3S/c20-19(21,22)12-5-4-6-13(11-12)23-17(27)14(7-2-1-3-10-29)25-18(28)15-8-9-16(26)24-15/h4-6,11,14-15,29H,1-3,7-10H2,(H,23,27)(H,24,26)(H,25,28)/t14-,15+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC10 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50027520
PNG
(CHEMBL3353927)
Show SMILES FC(F)(F)c1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@H]2CCC(=O)N2)c1 |r|
Show InChI InChI=1S/C19H24F3N3O3S/c20-19(21,22)12-5-4-6-13(11-12)23-17(27)14(7-2-1-3-10-29)25-18(28)15-8-9-16(26)24-15/h4-6,11,14-15,29H,1-3,7-10H2,(H,23,27)(H,24,26)(H,25,28)/t14-,15+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using RHKK(Ac) as substrate by fluorimetric analysis


Bioorg Med Chem Lett 25: 459-61 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.051
BindingDB Entry DOI: 10.7270/Q2445P3R
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50027520
PNG
(CHEMBL3353927)
Show SMILES FC(F)(F)c1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@H]2CCC(=O)N2)c1 |r|
Show InChI InChI=1S/C19H24F3N3O3S/c20-19(21,22)12-5-4-6-13(11-12)23-17(27)14(7-2-1-3-10-29)25-18(28)15-8-9-16(26)24-15/h4-6,11,14-15,29H,1-3,7-10H2,(H,23,27)(H,24,26)(H,25,28)/t14-,15+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 using RHKK(Ac) as substrate by fluorimetric analysis


Bioorg Med Chem Lett 25: 459-61 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.051
BindingDB Entry DOI: 10.7270/Q2445P3R
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50027520
PNG
(CHEMBL3353927)
Show SMILES FC(F)(F)c1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@H]2CCC(=O)N2)c1 |r|
Show InChI InChI=1S/C19H24F3N3O3S/c20-19(21,22)12-5-4-6-13(11-12)23-17(27)14(7-2-1-3-10-29)25-18(28)15-8-9-16(26)24-15/h4-6,11,14-15,29H,1-3,7-10H2,(H,23,27)(H,24,26)(H,25,28)/t14-,15+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3 using RHKK(Ac) as substrate by fluorimetric analysis


Bioorg Med Chem Lett 25: 459-61 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.051
BindingDB Entry DOI: 10.7270/Q2445P3R
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50027520
PNG
(CHEMBL3353927)
Show SMILES FC(F)(F)c1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@H]2CCC(=O)N2)c1 |r|
Show InChI InChI=1S/C19H24F3N3O3S/c20-19(21,22)12-5-4-6-13(11-12)23-17(27)14(7-2-1-3-10-29)25-18(28)15-8-9-16(26)24-15/h4-6,11,14-15,29H,1-3,7-10H2,(H,23,27)(H,24,26)(H,25,28)/t14-,15+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using RHKK(Ac) as substrate by fluorimetric analysis


Bioorg Med Chem Lett 25: 459-61 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.051
BindingDB Entry DOI: 10.7270/Q2445P3R
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50027520
PNG
(CHEMBL3353927)
Show SMILES FC(F)(F)c1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@H]2CCC(=O)N2)c1 |r|
Show InChI InChI=1S/C19H24F3N3O3S/c20-19(21,22)12-5-4-6-13(11-12)23-17(27)14(7-2-1-3-10-29)25-18(28)15-8-9-16(26)24-15/h4-6,11,14-15,29H,1-3,7-10H2,(H,23,27)(H,24,26)(H,25,28)/t14-,15+/m0/s1
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n/an/a 316n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using RHK(Ac)K(Ac) as substrate by fluorimetric analysis


Bioorg Med Chem Lett 25: 459-61 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.051
BindingDB Entry DOI: 10.7270/Q2445P3R
More data for this
Ligand-Target Pair
Histone deacetylase 10


(Homo sapiens (Human))
BDBM50027520
PNG
(CHEMBL3353927)
Show SMILES FC(F)(F)c1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@H]2CCC(=O)N2)c1 |r|
Show InChI InChI=1S/C19H24F3N3O3S/c20-19(21,22)12-5-4-6-13(11-12)23-17(27)14(7-2-1-3-10-29)25-18(28)15-8-9-16(26)24-15/h4-6,11,14-15,29H,1-3,7-10H2,(H,23,27)(H,24,26)(H,25,28)/t14-,15+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC10 using RHKK(Ac) as substrate by fluorimetric analysis


Bioorg Med Chem Lett 25: 459-61 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.051
BindingDB Entry DOI: 10.7270/Q2445P3R
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50027520
PNG
(CHEMBL3353927)
Show SMILES FC(F)(F)c1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@H]2CCC(=O)N2)c1 |r|
Show InChI InChI=1S/C19H24F3N3O3S/c20-19(21,22)12-5-4-6-13(11-12)23-17(27)14(7-2-1-3-10-29)25-18(28)15-8-9-16(26)24-15/h4-6,11,14-15,29H,1-3,7-10H2,(H,23,27)(H,24,26)(H,25,28)/t14-,15+/m0/s1
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n/an/a 44n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 using RHKK(Ac) as substrate by fluorimetric analysis


Bioorg Med Chem Lett 25: 459-61 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.051
BindingDB Entry DOI: 10.7270/Q2445P3R
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50027520
PNG
(CHEMBL3353927)
Show SMILES FC(F)(F)c1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@H]2CCC(=O)N2)c1 |r|
Show InChI InChI=1S/C19H24F3N3O3S/c20-19(21,22)12-5-4-6-13(11-12)23-17(27)14(7-2-1-3-10-29)25-18(28)15-8-9-16(26)24-15/h4-6,11,14-15,29H,1-3,7-10H2,(H,23,27)(H,24,26)(H,25,28)/t14-,15+/m0/s1
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n/an/a 44n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair