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BDBM50495086 CHEMBL3098697

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

InChI Key: InChIKey=NLFOGCNUIMUZSG-GJZGRUSLSA-N

Data: 7 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 7 hits for monomerid = 50495086   
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))
BDBM50495086
PNG
(CHEMBL3098697)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C19H32N4O5/c24-16-12-6-10-14(21-16)19(27)22-15(9-2-1-3-11-17(25)23-28)18(26)20-13-7-4-5-8-13/h13-15,28H,1-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 31n/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
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50495086
PNG
(CHEMBL3098697)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C19H32N4O5/c24-16-12-6-10-14(21-16)19(27)22-15(9-2-1-3-11-17(25)23-28)18(26)20-13-7-4-5-8-13/h13-15,28H,1-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.66E+3n/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 2


(Homo sapiens (Human))
BDBM50495086
PNG
(CHEMBL3098697)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C19H32N4O5/c24-16-12-6-10-14(21-16)19(27)22-15(9-2-1-3-11-17(25)23-28)18(26)20-13-7-4-5-8-13/h13-15,28H,1-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15-/m0/s1
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n/an/a 5.04E+3n/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))
BDBM50495086
PNG
(CHEMBL3098697)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C19H32N4O5/c24-16-12-6-10-14(21-16)19(27)22-15(9-2-1-3-11-17(25)23-28)18(26)20-13-7-4-5-8-13/h13-15,28H,1-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15-/m0/s1
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n/an/a 6.83E+3n/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 8


(Homo sapiens (Human))
BDBM50495086
PNG
(CHEMBL3098697)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C19H32N4O5/c24-16-12-6-10-14(21-16)19(27)22-15(9-2-1-3-11-17(25)23-28)18(26)20-13-7-4-5-8-13/h13-15,28H,1-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15-/m0/s1
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UniChem
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n/an/a 2.13E+3n/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 11


(Homo sapiens (Human))
BDBM50495086
PNG
(CHEMBL3098697)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C19H32N4O5/c24-16-12-6-10-14(21-16)19(27)22-15(9-2-1-3-11-17(25)23-28)18(26)20-13-7-4-5-8-13/h13-15,28H,1-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15-/m0/s1
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PC sid
UniChem
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n/an/a 1.44E+3n/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 1


(Homo sapiens (Human))
BDBM50495086
PNG
(CHEMBL3098697)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C19H32N4O5/c24-16-12-6-10-14(21-16)19(27)22-15(9-2-1-3-11-17(25)23-28)18(26)20-13-7-4-5-8-13/h13-15,28H,1-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15-/m0/s1
PDB
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NCI pathway
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KEGG

UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.45E+3n/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