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BDBM50507256 CHEMBL4476425

SMILES: Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1

InChI Key: InChIKey=ODOKPTUWMSGFKA-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50507256   
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))
BDBM50507256
PNG
(CHEMBL4476425)
Show SMILES Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
Show InChI InChI=1S/C28H30N4O4/c29-22-9-3-4-10-23(22)30-25(33)11-2-1-5-14-32-27(34)20-8-6-7-19-24(31-15-17-36-18-16-31)13-12-21(26(19)20)28(32)35/h3-4,6-10,12-13H,1-2,5,11,14-18,29H2,(H,30,33)
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PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in Baculovirus infected insect cells using RHKK-Ac as subs...


Eur J Med Chem 162: 321-333 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.020
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50507256
PNG
(CHEMBL4476425)
Show SMILES Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
Show InChI InChI=1S/C28H30N4O4/c29-22-9-3-4-10-23(22)30-25(33)11-2-1-5-14-32-27(34)20-8-6-7-19-24(31-15-17-36-18-16-31)13-12-21(26(19)20)28(32)35/h3-4,6-10,12-13H,1-2,5,11,14-18,29H2,(H,30,33)
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n/an/a 8.12E+3n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His-tagged human HDAC11 (1 to 347 residues) expressed in Baculovirus infected insect cells using RHKK-Ac as subs...


Eur J Med Chem 162: 321-333 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.020
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 1


(Homo sapiens (Human))
BDBM50507256
PNG
(CHEMBL4476425)
Show SMILES Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
Show InChI InChI=1S/C28H30N4O4/c29-22-9-3-4-10-23(22)30-25(33)11-2-1-5-14-32-27(34)20-8-6-7-19-24(31-15-17-36-18-16-31)13-12-21(26(19)20)28(32)35/h3-4,6-10,12-13H,1-2,5,11,14-18,29H2,(H,30,33)
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PC sid
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n/an/a 430n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length C-terminal FLAG/His-tagged human HDAC1 (1 to 482 residues) expressed in sf21 cells using RHK-K(Ac)-AMC as subst...


Eur J Med Chem 162: 321-333 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.020
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50507256
PNG
(CHEMBL4476425)
Show SMILES Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
Show InChI InChI=1S/C28H30N4O4/c29-22-9-3-4-10-23(22)30-25(33)11-2-1-5-14-32-27(34)20-8-6-7-19-24(31-15-17-36-18-16-31)13-12-21(26(19)20)28(32)35/h3-4,6-10,12-13H,1-2,5,11,14-18,29H2,(H,30,33)
PDB

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) express...


Eur J Med Chem 162: 321-333 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.020
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50507256
PNG
(CHEMBL4476425)
Show SMILES Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
Show InChI InChI=1S/C28H30N4O4/c29-22-9-3-4-10-23(22)30-25(33)11-2-1-5-14-32-27(34)20-8-6-7-19-24(31-15-17-36-18-16-31)13-12-21(26(19)20)28(32)35/h3-4,6-10,12-13H,1-2,5,11,14-18,29H2,(H,30,33)
PDB
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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His-tagged human HDAC8 (1 to 377 residues) expressed in Baculovirus infected insect cells using RHK-K(Ac)-AMC as...


Eur J Med Chem 162: 321-333 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.020
More data for this
Ligand-Target Pair