BindingDB logo
myBDB logout

null

SMILES: SCCCCC[C@H](NC(=O)[C@@H]1[C@@H](CNC1=O)c1ccccc1)C(=O)Nc1ccccc1

InChI Key: InChIKey=UHKDIMIVZUCWEH-PCCBWWKXSA-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 = 50027588   
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))
BDBM50027588
PNG
(CHEMBL3356928)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1[C@@H](CNC1=O)c1ccccc1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C24H29N3O3S/c28-22(26-18-12-6-2-7-13-18)20(14-8-3-9-15-31)27-24(30)21-19(16-25-23(21)29)17-10-4-1-5-11-17/h1-2,4-7,10-13,19-21,31H,3,8-9,14-16H2,(H,25,29)(H,26,28)(H,27,30)/t19-,20-,21+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 72n/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))
BDBM50027588
PNG
(CHEMBL3356928)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1[C@@H](CNC1=O)c1ccccc1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C24H29N3O3S/c28-22(26-18-12-6-2-7-13-18)20(14-8-3-9-15-31)27-24(30)21-19(16-25-23(21)29)17-10-4-1-5-11-17/h1-2,4-7,10-13,19-21,31H,3,8-9,14-16H2,(H,25,29)(H,26,28)(H,27,30)/t19-,20-,21+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 35n/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))
BDBM50027588
PNG
(CHEMBL3356928)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1[C@@H](CNC1=O)c1ccccc1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C24H29N3O3S/c28-22(26-18-12-6-2-7-13-18)20(14-8-3-9-15-31)27-24(30)21-19(16-25-23(21)29)17-10-4-1-5-11-17/h1-2,4-7,10-13,19-21,31H,3,8-9,14-16H2,(H,25,29)(H,26,28)(H,27,30)/t19-,20-,21+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.57E+3n/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))
BDBM50027588
PNG
(CHEMBL3356928)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1[C@@H](CNC1=O)c1ccccc1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C24H29N3O3S/c28-22(26-18-12-6-2-7-13-18)20(14-8-3-9-15-31)27-24(30)21-19(16-25-23(21)29)17-10-4-1-5-11-17/h1-2,4-7,10-13,19-21,31H,3,8-9,14-16H2,(H,25,29)(H,26,28)(H,27,30)/t19-,20-,21+/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/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))
BDBM50027588
PNG
(CHEMBL3356928)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1[C@@H](CNC1=O)c1ccccc1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C24H29N3O3S/c28-22(26-18-12-6-2-7-13-18)20(14-8-3-9-15-31)27-24(30)21-19(16-25-23(21)29)17-10-4-1-5-11-17/h1-2,4-7,10-13,19-21,31H,3,8-9,14-16H2,(H,25,29)(H,26,28)(H,27,30)/t19-,20-,21+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+3n/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))
BDBM50027588
PNG
(CHEMBL3356928)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1[C@@H](CNC1=O)c1ccccc1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C24H29N3O3S/c28-22(26-18-12-6-2-7-13-18)20(14-8-3-9-15-31)27-24(30)21-19(16-25-23(21)29)17-10-4-1-5-11-17/h1-2,4-7,10-13,19-21,31H,3,8-9,14-16H2,(H,25,29)(H,26,28)(H,27,30)/t19-,20-,21+/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/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))
BDBM50027588
PNG
(CHEMBL3356928)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1[C@@H](CNC1=O)c1ccccc1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C24H29N3O3S/c28-22(26-18-12-6-2-7-13-18)20(14-8-3-9-15-31)27-24(30)21-19(16-25-23(21)29)17-10-4-1-5-11-17/h1-2,4-7,10-13,19-21,31H,3,8-9,14-16H2,(H,25,29)(H,26,28)(H,27,30)/t19-,20-,21+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 74n/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