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BDBM50026450 CHEMBL3335283

SMILES: ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1

InChI Key: InChIKey=UDRKLVCIAKBNQW-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50026450   
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 1


(Homo sapiens (Human))		BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 64n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay

Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NV9KTB
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))		BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 4.89E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9 after 60 mins by fluorimetric assay

Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NV9KTB
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))		BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 5.22E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 after 60 mins by fluorimetric assay

Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NV9KTB
More data for this
Ligand-Target Pair
Histone deacetylase 10


(Homo sapiens (Human))		BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 94n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC10 after 60 mins by fluorimetric assay

Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NV9KTB
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 397n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 after 60 mins by fluorimetric assay

Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NV9KTB
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))		BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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PubMed
n/an/a 8.15E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 after 60 mins by fluorimetric assay

Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NV9KTB
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 2.98E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 after 60 mins by fluorimetric assay

Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NV9KTB
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 68n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 after 60 mins by fluorimetric assay

Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NV9KTB
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))		BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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PubMed
n/an/a 2.34E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC11 after 60 mins by fluorimetric assay

Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NV9KTB
More data for this
Ligand-Target Pair