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BDBM50005732 CHEMBL3235787

SMILES: COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C=C\C(=O)NO)cc1

InChI Key: InChIKey=UDXLWODFRMOKRH-ZUVMSYQZSA-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 = 50005732   
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 11


(Homo sapiens (Human))
BDBM50005732
PNG
(CHEMBL3235787)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C=C\C(=O)NO)cc1 |TLB:11:12:10.9.15:16,THB:11:10:12.17.13:16,13:12:9:15.14.16,13:14:11.12.17:9|
Show InChI InChI=1S/C28H31NO3/c1-32-26-11-10-24(23-8-6-19(7-9-23)4-2-3-5-27(30)29-31)15-25(26)28-16-20-12-21(17-28)14-22(13-20)18-28/h2-11,15,20-22,31H,12-14,16-18H2,1H3,(H,29,30)/b4-2+,5-3+
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n/an/a 3.80E+4n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50005732
PNG
(CHEMBL3235787)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C=C\C(=O)NO)cc1 |TLB:11:12:10.9.15:16,THB:11:10:12.17.13:16,13:12:9:15.14.16,13:14:11.12.17:9|
Show InChI InChI=1S/C28H31NO3/c1-32-26-11-10-24(23-8-6-19(7-9-23)4-2-3-5-27(30)29-31)15-25(26)28-16-20-12-21(17-28)14-22(13-20)18-28/h2-11,15,20-22,31H,12-14,16-18H2,1H3,(H,29,30)/b4-2+,5-3+
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n/an/a 6.00E+4n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50005732
PNG
(CHEMBL3235787)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C=C\C(=O)NO)cc1 |TLB:11:12:10.9.15:16,THB:11:10:12.17.13:16,13:12:9:15.14.16,13:14:11.12.17:9|
Show InChI InChI=1S/C28H31NO3/c1-32-26-11-10-24(23-8-6-19(7-9-23)4-2-3-5-27(30)29-31)15-25(26)28-16-20-12-21(17-28)14-22(13-20)18-28/h2-11,15,20-22,31H,12-14,16-18H2,1H3,(H,29,30)/b4-2+,5-3+
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n/an/a 7.70E+4n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50005732
PNG
(CHEMBL3235787)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C=C\C(=O)NO)cc1 |TLB:11:12:10.9.15:16,THB:11:10:12.17.13:16,13:12:9:15.14.16,13:14:11.12.17:9|
Show InChI InChI=1S/C28H31NO3/c1-32-26-11-10-24(23-8-6-19(7-9-23)4-2-3-5-27(30)29-31)15-25(26)28-16-20-12-21(17-28)14-22(13-20)18-28/h2-11,15,20-22,31H,12-14,16-18H2,1H3,(H,29,30)/b4-2+,5-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3 complexed with NCOR2 using fluorogenic tetrapeptide RHKKAc as susbtrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50005732
PNG
(CHEMBL3235787)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C=C\C(=O)NO)cc1 |TLB:11:12:10.9.15:16,THB:11:10:12.17.13:16,13:12:9:15.14.16,13:14:11.12.17:9|
Show InChI InChI=1S/C28H31NO3/c1-32-26-11-10-24(23-8-6-19(7-9-23)4-2-3-5-27(30)29-31)15-25(26)28-16-20-12-21(17-28)14-22(13-20)18-28/h2-11,15,20-22,31H,12-14,16-18H2,1H3,(H,29,30)/b4-2+,5-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50005732
PNG
(CHEMBL3235787)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C=C\C(=O)NO)cc1 |TLB:11:12:10.9.15:16,THB:11:10:12.17.13:16,13:12:9:15.14.16,13:14:11.12.17:9|
Show InChI InChI=1S/C28H31NO3/c1-32-26-11-10-24(23-8-6-19(7-9-23)4-2-3-5-27(30)29-31)15-25(26)28-16-20-12-21(17-28)14-22(13-20)18-28/h2-11,15,20-22,31H,12-14,16-18H2,1H3,(H,29,30)/b4-2+,5-3+
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n/an/a 3.10E+4n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50005732
PNG
(CHEMBL3235787)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C=C\C(=O)NO)cc1 |TLB:11:12:10.9.15:16,THB:11:10:12.17.13:16,13:12:9:15.14.16,13:14:11.12.17:9|
Show InChI InChI=1S/C28H31NO3/c1-32-26-11-10-24(23-8-6-19(7-9-23)4-2-3-5-27(30)29-31)15-25(26)28-16-20-12-21(17-28)14-22(13-20)18-28/h2-11,15,20-22,31H,12-14,16-18H2,1H3,(H,29,30)/b4-2+,5-3+
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Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50005732
PNG
(CHEMBL3235787)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C=C\C(=O)NO)cc1 |TLB:11:12:10.9.15:16,THB:11:10:12.17.13:16,13:12:9:15.14.16,13:14:11.12.17:9|
Show InChI InChI=1S/C28H31NO3/c1-32-26-11-10-24(23-8-6-19(7-9-23)4-2-3-5-27(30)29-31)15-25(26)28-16-20-12-21(17-28)14-22(13-20)18-28/h2-11,15,20-22,31H,12-14,16-18H2,1H3,(H,29,30)/b4-2+,5-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC10 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50005732
PNG
(CHEMBL3235787)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C=C\C(=O)NO)cc1 |TLB:11:12:10.9.15:16,THB:11:10:12.17.13:16,13:12:9:15.14.16,13:14:11.12.17:9|
Show InChI InChI=1S/C28H31NO3/c1-32-26-11-10-24(23-8-6-19(7-9-23)4-2-3-5-27(30)29-31)15-25(26)28-16-20-12-21(17-28)14-22(13-20)18-28/h2-11,15,20-22,31H,12-14,16-18H2,1H3,(H,29,30)/b4-2+,5-3+
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Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells using KI-104 as substrate after 40 mins by fluorescence analysis


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50005732
PNG
(CHEMBL3235787)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C=C\C(=O)NO)cc1 |TLB:11:12:10.9.15:16,THB:11:10:12.17.13:16,13:12:9:15.14.16,13:14:11.12.17:9|
Show InChI InChI=1S/C28H31NO3/c1-32-26-11-10-24(23-8-6-19(7-9-23)4-2-3-5-27(30)29-31)15-25(26)28-16-20-12-21(17-28)14-22(13-20)18-28/h2-11,15,20-22,31H,12-14,16-18H2,1H3,(H,29,30)/b4-2+,5-3+
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n/an/a 1.70E+4n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50005732
PNG
(CHEMBL3235787)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C=C\C(=O)NO)cc1 |TLB:11:12:10.9.15:16,THB:11:10:12.17.13:16,13:12:9:15.14.16,13:14:11.12.17:9|
Show InChI InChI=1S/C28H31NO3/c1-32-26-11-10-24(23-8-6-19(7-9-23)4-2-3-5-27(30)29-31)15-25(26)28-16-20-12-21(17-28)14-22(13-20)18-28/h2-11,15,20-22,31H,12-14,16-18H2,1H3,(H,29,30)/b4-2+,5-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair