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BDBM50161828 CHEMBL3793310

SMILES: Cc1[nH]c2ccccc2c1\C=C\c1ccccc1-c1ccc(\C=C\C(=O)NO)cc1

InChI Key: InChIKey=PRMXPZIOPNPPCX-JDWGSQHISA-N

Data: 13 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 13 hits for monomerid = 50161828   
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 10


(Homo sapiens (Human))
BDBM50161828
PNG
(CHEMBL3793310)
Show SMILES Cc1[nH]c2ccccc2c1\C=C\c1ccccc1-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C26H22N2O2/c1-18-22(24-8-4-5-9-25(24)27-18)16-15-20-6-2-3-7-23(20)21-13-10-19(11-14-21)12-17-26(29)28-30/h2-17,27,30H,1H3,(H,28,29)/b16-15+,17-12+
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n/an/a 1.02E+4n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of human HDAC10 using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay


Eur J Med Chem 112: 99-105 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5BB0
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50161828
PNG
(CHEMBL3793310)
Show SMILES Cc1[nH]c2ccccc2c1\C=C\c1ccccc1-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C26H22N2O2/c1-18-22(24-8-4-5-9-25(24)27-18)16-15-20-6-2-3-7-23(20)21-13-10-19(11-14-21)12-17-26(29)28-30/h2-17,27,30H,1H3,(H,28,29)/b16-15+,17-12+
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n/an/a 8.90E+3n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay


Eur J Med Chem 112: 99-105 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5BB0
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50161828
PNG
(CHEMBL3793310)
Show SMILES Cc1[nH]c2ccccc2c1\C=C\c1ccccc1-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C26H22N2O2/c1-18-22(24-8-4-5-9-25(24)27-18)16-15-20-6-2-3-7-23(20)21-13-10-19(11-14-21)12-17-26(29)28-30/h2-17,27,30H,1H3,(H,28,29)/b16-15+,17-12+
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Fluor de Lys Green as substrate incubated for 30 mins by fluorescence assay


Eur J Med Chem 112: 99-105 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5BB0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50161828
PNG
(CHEMBL3793310)
Show SMILES Cc1[nH]c2ccccc2c1\C=C\c1ccccc1-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C26H22N2O2/c1-18-22(24-8-4-5-9-25(24)27-18)16-15-20-6-2-3-7-23(20)21-13-10-19(11-14-21)12-17-26(29)28-30/h2-17,27,30H,1H3,(H,28,29)/b16-15+,17-12+
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n/an/a 6.40E+3n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells using BOC-Ac-Lys-AMC as substrate incubated for 4 hrs by fluorescence assay


Eur J Med Chem 112: 99-105 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5BB0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50161828
PNG
(CHEMBL3793310)
Show SMILES Cc1[nH]c2ccccc2c1\C=C\c1ccccc1-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C26H22N2O2/c1-18-22(24-8-4-5-9-25(24)27-18)16-15-20-6-2-3-7-23(20)21-13-10-19(11-14-21)12-17-26(29)28-30/h2-17,27,30H,1H3,(H,28,29)/b16-15+,17-12+
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


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


Eur J Med Chem 112: 99-105 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5BB0
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50161828
PNG
(CHEMBL3793310)
Show SMILES Cc1[nH]c2ccccc2c1\C=C\c1ccccc1-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C26H22N2O2/c1-18-22(24-8-4-5-9-25(24)27-18)16-15-20-6-2-3-7-23(20)21-13-10-19(11-14-21)12-17-26(29)28-30/h2-17,27,30H,1H3,(H,28,29)/b16-15+,17-12+
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n/an/a 1.71E+4n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His-tagged, N-terminal GST-tagged HDAC4 (627 to 1084 residues) expressed in insect cells using RHK-K(Ac)-A...


Eur J Med Chem 112: 99-105 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5BB0
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50161828
PNG
(CHEMBL3793310)
Show SMILES Cc1[nH]c2ccccc2c1\C=C\c1ccccc1-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C26H22N2O2/c1-18-22(24-8-4-5-9-25(24)27-18)16-15-20-6-2-3-7-23(20)21-13-10-19(11-14-21)12-17-26(29)28-30/h2-17,27,30H,1H3,(H,28,29)/b16-15+,17-12+
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n/an/a 1.62E+4n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged HDAC11 (1 to 347 residues) using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescen...


Eur J Med Chem 112: 99-105 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5BB0
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50161828
PNG
(CHEMBL3793310)
Show SMILES Cc1[nH]c2ccccc2c1\C=C\c1ccccc1-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C26H22N2O2/c1-18-22(24-8-4-5-9-25(24)27-18)16-15-20-6-2-3-7-23(20)21-13-10-19(11-14-21)12-17-26(29)28-30/h2-17,27,30H,1H3,(H,28,29)/b16-15+,17-12+
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n/an/a 1.09E+4n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged HDAC7 (518 to 991 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate incubate...


Eur J Med Chem 112: 99-105 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5BB0
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50161828
PNG
(CHEMBL3793310)
Show SMILES Cc1[nH]c2ccccc2c1\C=C\c1ccccc1-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C26H22N2O2/c1-18-22(24-8-4-5-9-25(24)27-18)16-15-20-6-2-3-7-23(20)21-13-10-19(11-14-21)12-17-26(29)28-30/h2-17,27,30H,1H3,(H,28,29)/b16-15+,17-12+
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in sf9 cells using RHK-K(Ac)-AMC as substrate ...


Eur J Med Chem 112: 99-105 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5BB0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50161828
PNG
(CHEMBL3793310)
Show SMILES Cc1[nH]c2ccccc2c1\C=C\c1ccccc1-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C26H22N2O2/c1-18-22(24-8-4-5-9-25(24)27-18)16-15-20-6-2-3-7-23(20)21-13-10-19(11-14-21)12-17-26(29)28-30/h2-17,27,30H,1H3,(H,28,29)/b16-15+,17-12+
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa nuclear extract using BOC-Ac-Lys-AMC as substrate incubated for 90 mins by fluorescence assay


Eur J Med Chem 112: 99-105 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5BB0
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50161828
PNG
(CHEMBL3793310)
Show SMILES Cc1[nH]c2ccccc2c1\C=C\c1ccccc1-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C26H22N2O2/c1-18-22(24-8-4-5-9-25(24)27-18)16-15-20-6-2-3-7-23(20)21-13-10-19(11-14-21)12-17-26(29)28-30/h2-17,27,30H,1H3,(H,28,29)/b16-15+,17-12+
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


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


Eur J Med Chem 112: 99-105 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5BB0
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50161828
PNG
(CHEMBL3793310)
Show SMILES Cc1[nH]c2ccccc2c1\C=C\c1ccccc1-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C26H22N2O2/c1-18-22(24-8-4-5-9-25(24)27-18)16-15-20-6-2-3-7-23(20)21-13-10-19(11-14-21)12-17-26(29)28-30/h2-17,27,30H,1H3,(H,28,29)/b16-15+,17-12+
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His-tagged HDAC5 (657 to 1123 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate incubat...


Eur J Med Chem 112: 99-105 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5BB0
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50161828
PNG
(CHEMBL3793310)
Show SMILES Cc1[nH]c2ccccc2c1\C=C\c1ccccc1-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C26H22N2O2/c1-18-22(24-8-4-5-9-25(24)27-18)16-15-20-6-2-3-7-23(20)21-13-10-19(11-14-21)12-17-26(29)28-30/h2-17,27,30H,1H3,(H,28,29)/b16-15+,17-12+
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n/an/a 580n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


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


Eur J Med Chem 112: 99-105 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5BB0
More data for this
Ligand-Target Pair