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BDBM50507257 CHEMBL4475116

SMILES: CCCNc1ccc2C(=O)N(CCCCCC(=O)NO)C(=O)c3cccc1c23

InChI Key: InChIKey=UODZPFZHXUXNPW-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50507257   
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 5


(Homo sapiens (Human))		BDBM50507257
PNG
(CHEMBL4475116)
Show SMILES CCCNc1ccc2C(=O)N(CCCCCC(=O)NO)C(=O)c3cccc1c23
Show InChI InChI=1S/C21H25N3O4/c1-2-12-22-17-11-10-16-19-14(17)7-6-8-15(19)20(26)24(21(16)27)13-5-3-4-9-18(25)23-28/h6-8,10-11,22,28H,2-5,9,12-13H2,1H3,(H,23,25)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His-tagged human HDAC5 (656 to 1122 residues) expressed in insect cells using Boc-K(Ac)-AMC as substrate by fluo...

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 6


(Homo sapiens (Human))		BDBM50507257
PNG
(CHEMBL4475116)
Show SMILES CCCNc1ccc2C(=O)N(CCCCCC(=O)NO)C(=O)c3cccc1c23
Show InChI InChI=1S/C21H25N3O4/c1-2-12-22-17-11-10-16-19-14(17)7-6-8-15(19)20(26)24(21(16)27)13-5-3-4-9-18(25)23-28/h6-8,10-11,22,28H,2-5,9,12-13H2,1H3,(H,23,25)
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n/an/a 4.80n/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 10


(Homo sapiens (Human))		BDBM50507257
PNG
(CHEMBL4475116)
Show SMILES CCCNc1ccc2C(=O)N(CCCCCC(=O)NO)C(=O)c3cccc1c23
Show InChI InChI=1S/C21H25N3O4/c1-2-12-22-17-11-10-16-19-14(17)7-6-8-15(19)20(26)24(21(16)27)13-5-3-4-9-18(25)23-28/h6-8,10-11,22,28H,2-5,9,12-13H2,1H3,(H,23,25)
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n/an/a 320n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC10 using RHKK-Ac as substrate by fluorimetric assay

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))		BDBM50507257
PNG
(CHEMBL4475116)
Show SMILES CCCNc1ccc2C(=O)N(CCCCCC(=O)NO)C(=O)c3cccc1c23
Show InChI InChI=1S/C21H25N3O4/c1-2-12-22-17-11-10-16-19-14(17)7-6-8-15(19)20(26)24(21(16)27)13-5-3-4-9-18(25)23-28/h6-8,10-11,22,28H,2-5,9,12-13H2,1H3,(H,23,25)
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n/an/a 1.52E+3n/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
Histone deacetylase 7


(Homo sapiens (Human))		BDBM50507257
PNG
(CHEMBL4475116)
Show SMILES CCCNc1ccc2C(=O)N(CCCCCC(=O)NO)C(=O)c3cccc1c23
Show InChI InChI=1S/C21H25N3O4/c1-2-12-22-17-11-10-16-19-14(17)7-6-8-15(19)20(26)24(21(16)27)13-5-3-4-9-18(25)23-28/h6-8,10-11,22,28H,2-5,9,12-13H2,1H3,(H,23,25)
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n/an/a 9.40E+3n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC7 (518 to 991 residues) expressed in Baculovirus infected insect cells using Boc-K(Ac)-AMC ...

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 9


(Homo sapiens (Human))		BDBM50507257
PNG
(CHEMBL4475116)
Show SMILES CCCNc1ccc2C(=O)N(CCCCCC(=O)NO)C(=O)c3cccc1c23
Show InChI InChI=1S/C21H25N3O4/c1-2-12-22-17-11-10-16-19-14(17)7-6-8-15(19)20(26)24(21(16)27)13-5-3-4-9-18(25)23-28/h6-8,10-11,22,28H,2-5,9,12-13H2,1H3,(H,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 using Boc-Lys(trifluoroacetyl)-AMC as substrate by fluorimetric assay

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))		BDBM50507257
PNG
(CHEMBL4475116)
Show SMILES CCCNc1ccc2C(=O)N(CCCCCC(=O)NO)C(=O)c3cccc1c23
Show InChI InChI=1S/C21H25N3O4/c1-2-12-22-17-11-10-16-19-14(17)7-6-8-15(19)20(26)24(21(16)27)13-5-3-4-9-18(25)23-28/h6-8,10-11,22,28H,2-5,9,12-13H2,1H3,(H,23,25)
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n/an/a 110n/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
Cereblon/Histone deacetylase 2


(Homo sapiens (Human))		BDBM50507257
PNG
(CHEMBL4475116)
Show SMILES CCCNc1ccc2C(=O)N(CCCCCC(=O)NO)C(=O)c3cccc1c23
Show InChI InChI=1S/C21H25N3O4/c1-2-12-22-17-11-10-16-19-14(17)7-6-8-15(19)20(26)24(21(16)27)13-5-3-4-9-18(25)23-28/h6-8,10-11,22,28H,2-5,9,12-13H2,1H3,(H,23,25)
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n/an/a 420n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length C-terminal GST-tagged human HDAC2 (1 to 488 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrat...

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))		BDBM50507257
PNG
(CHEMBL4475116)
Show SMILES CCCNc1ccc2C(=O)N(CCCCCC(=O)NO)C(=O)c3cccc1c23
Show InChI InChI=1S/C21H25N3O4/c1-2-12-22-17-11-10-16-19-14(17)7-6-8-15(19)20(26)24(21(16)27)13-5-3-4-9-18(25)23-28/h6-8,10-11,22,28H,2-5,9,12-13H2,1H3,(H,23,25)
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n/an/a 590n/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 11


(Homo sapiens (Human))		BDBM50507257
PNG
(CHEMBL4475116)
Show SMILES CCCNc1ccc2C(=O)N(CCCCCC(=O)NO)C(=O)c3cccc1c23
Show InChI InChI=1S/C21H25N3O4/c1-2-12-22-17-11-10-16-19-14(17)7-6-8-15(19)20(26)24(21(16)27)13-5-3-4-9-18(25)23-28/h6-8,10-11,22,28H,2-5,9,12-13H2,1H3,(H,23,25)
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n/an/a 80n/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 4


(Homo sapiens (Human))		BDBM50507257
PNG
(CHEMBL4475116)
Show SMILES CCCNc1ccc2C(=O)N(CCCCCC(=O)NO)C(=O)c3cccc1c23
Show InChI InChI=1S/C21H25N3O4/c1-2-12-22-17-11-10-16-19-14(17)7-6-8-15(19)20(26)24(21(16)27)13-5-3-4-9-18(25)23-28/h6-8,10-11,22,28H,2-5,9,12-13H2,1H3,(H,23,25)
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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 /C-terminal His-tagged human HDAC4 (627 to 1084 residues) expressed in Baculovirus infected insect ce...

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


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