BindingDB logo
myBDB logout

BDBM50042848 CHEMBL3098691

SMILES: ONC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)Nc1ccccc1

InChI Key: InChIKey=QMGDCUHFYVMSBA-GJZGRUSLSA-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 = 50042848   
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 2


(Homo sapiens (Human))
BDBM50042848
PNG
(CHEMBL3098691)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O5/c24-16-12-11-15(21-16)19(27)22-14(9-5-2-6-10-17(25)23-28)18(26)20-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,28H,2,5-6,9-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15-/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 89n/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))
BDBM50042848
PNG
(CHEMBL3098691)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O5/c24-16-12-11-15(21-16)19(27)22-14(9-5-2-6-10-17(25)23-28)18(26)20-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,28H,2,5-6,9-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15-/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 62n/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))
BDBM50042848
PNG
(CHEMBL3098691)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O5/c24-16-12-11-15(21-16)19(27)22-14(9-5-2-6-10-17(25)23-28)18(26)20-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,28H,2,5-6,9-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 3n/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))
BDBM50042848
PNG
(CHEMBL3098691)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O5/c24-16-12-11-15(21-16)19(27)22-14(9-5-2-6-10-17(25)23-28)18(26)20-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,28H,2,5-6,9-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15-/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 93n/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))
BDBM50042848
PNG
(CHEMBL3098691)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O5/c24-16-12-11-15(21-16)19(27)22-14(9-5-2-6-10-17(25)23-28)18(26)20-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,28H,2,5-6,9-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15-/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 113n/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))
BDBM50042848
PNG
(CHEMBL3098691)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O5/c24-16-12-11-15(21-16)19(27)22-14(9-5-2-6-10-17(25)23-28)18(26)20-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,28H,2,5-6,9-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/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 8


(Homo sapiens (Human))
BDBM50042848
PNG
(CHEMBL3098691)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O5/c24-16-12-11-15(21-16)19(27)22-14(9-5-2-6-10-17(25)23-28)18(26)20-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,28H,2,5-6,9-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15-/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 137n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 61-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.072
BindingDB Entry DOI: 10.7270/Q21839GT
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50042848
PNG
(CHEMBL3098691)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O5/c24-16-12-11-15(21-16)19(27)22-14(9-5-2-6-10-17(25)23-28)18(26)20-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,28H,2,5-6,9-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 89n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3/NCOR2 using RHKK(Ac) as substrate by fluorimetric analysis


Bioorg Med Chem Lett 24: 61-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.072
BindingDB Entry DOI: 10.7270/Q21839GT
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 1


(Homo sapiens (Human))
BDBM50042848
PNG
(CHEMBL3098691)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O5/c24-16-12-11-15(21-16)19(27)22-14(9-5-2-6-10-17(25)23-28)18(26)20-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,28H,2,5-6,9-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 61-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.072
BindingDB Entry DOI: 10.7270/Q21839GT
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50042848
PNG
(CHEMBL3098691)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O5/c24-16-12-11-15(21-16)19(27)22-14(9-5-2-6-10-17(25)23-28)18(26)20-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,28H,2,5-6,9-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 61-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.072
BindingDB Entry DOI: 10.7270/Q21839GT
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50042848
PNG
(CHEMBL3098691)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O5/c24-16-12-11-15(21-16)19(27)22-14(9-5-2-6-10-17(25)23-28)18(26)20-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,28H,2,5-6,9-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 61-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.072
BindingDB Entry DOI: 10.7270/Q21839GT
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 2


(Homo sapiens (Human))
BDBM50042848
PNG
(CHEMBL3098691)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O5/c24-16-12-11-15(21-16)19(27)22-14(9-5-2-6-10-17(25)23-28)18(26)20-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,28H,2,5-6,9-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15-/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 143n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 61-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.072
BindingDB Entry DOI: 10.7270/Q21839GT
More data for this
Ligand-Target Pair
Histone deacetylase 10


(Homo sapiens (Human))
BDBM50042848
PNG
(CHEMBL3098691)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O5/c24-16-12-11-15(21-16)19(27)22-14(9-5-2-6-10-17(25)23-28)18(26)20-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,28H,2,5-6,9-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15-/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 125n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 61-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.072
BindingDB Entry DOI: 10.7270/Q21839GT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50042848
PNG
(CHEMBL3098691)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O5/c24-16-12-11-15(21-16)19(27)22-14(9-5-2-6-10-17(25)23-28)18(26)20-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,28H,2,5-6,9-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 34n/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