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SMILES: SCCCCC[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)NC1CCCC1

InChI Key: InChIKey=QOXLRWMTGBTFSF-GJZGRUSLSA-N

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 7 hits for monomerid = 50027591   
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))
BDBM50027591
PNG
(CHEMBL3356931)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C18H31N3O3S/c22-16-11-6-10-14(20-16)18(24)21-15(9-2-1-5-12-25)17(23)19-13-7-3-4-8-13/h13-15,25H,1-12H2,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/m0/s1
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n/an/a 98n/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
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50027591
PNG
(CHEMBL3356931)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C18H31N3O3S/c22-16-11-6-10-14(20-16)18(24)21-15(9-2-1-5-12-25)17(23)19-13-7-3-4-8-13/h13-15,25H,1-12H2,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/m0/s1
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n/an/a 6n/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))
BDBM50027591
PNG
(CHEMBL3356931)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C18H31N3O3S/c22-16-11-6-10-14(20-16)18(24)21-15(9-2-1-5-12-25)17(23)19-13-7-3-4-8-13/h13-15,25H,1-12H2,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/m0/s1
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n/an/a 450n/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 11


(Homo sapiens (Human))
BDBM50027591
PNG
(CHEMBL3356931)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C18H31N3O3S/c22-16-11-6-10-14(20-16)18(24)21-15(9-2-1-5-12-25)17(23)19-13-7-3-4-8-13/h13-15,25H,1-12H2,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/m0/s1
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n/an/a 89n/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
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50027591
PNG
(CHEMBL3356931)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C18H31N3O3S/c22-16-11-6-10-14(20-16)18(24)21-15(9-2-1-5-12-25)17(23)19-13-7-3-4-8-13/h13-15,25H,1-12H2,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/m0/s1
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n/an/a 454n/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
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50027591
PNG
(CHEMBL3356931)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C18H31N3O3S/c22-16-11-6-10-14(20-16)18(24)21-15(9-2-1-5-12-25)17(23)19-13-7-3-4-8-13/h13-15,25H,1-12H2,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/m0/s1
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PubMed
n/an/a 189n/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))
BDBM50027591
PNG
(CHEMBL3356931)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C18H31N3O3S/c22-16-11-6-10-14(20-16)18(24)21-15(9-2-1-5-12-25)17(23)19-13-7-3-4-8-13/h13-15,25H,1-12H2,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/m0/s1
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PC sid
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Article
PubMed
n/an/a 160n/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