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BDBM50087841 CHEMBL3426804

SMILES: ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1

InChI Key: InChIKey=UQSIPNLHOWORHA-BUHFOSPRSA-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 = 50087841   
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))		BDBM50087841
PNG
(CHEMBL3426804)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1
Show InChI InChI=1S/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+
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n/an/a 1.02E+4n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC11 (unknown origin) by homogeneous fluorescence release assay

J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
BindingDB Entry DOI: 10.7270/Q23X88DK
More data for this
Ligand-Target Pair
Histone deacetylase 10


(Homo sapiens (Human))		BDBM50087841
PNG
(CHEMBL3426804)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1
Show InChI InChI=1S/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+
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n/an/a 1.80E+3n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC10 (unknown origin) by homogeneous fluorescence release assay

J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
BindingDB Entry DOI: 10.7270/Q23X88DK
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))		BDBM50087841
PNG
(CHEMBL3426804)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1
Show InChI InChI=1S/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+
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n/an/a 1.06E+4n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC9 (unknown origin) by homogeneous fluorescence release assay

J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
BindingDB Entry DOI: 10.7270/Q23X88DK
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50087841
PNG
(CHEMBL3426804)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1
Show InChI InChI=1S/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+
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n/an/a 610n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) by homogeneous fluorescence release assay

J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
BindingDB Entry DOI: 10.7270/Q23X88DK
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))		BDBM50087841
PNG
(CHEMBL3426804)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1
Show InChI InChI=1S/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+
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n/an/a 8.77E+3n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC7 (unknown origin) by homogeneous fluorescence release assay

J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
BindingDB Entry DOI: 10.7270/Q23X88DK
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50087841
PNG
(CHEMBL3426804)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1
Show InChI InChI=1S/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+
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n/an/a 1.42E+3n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) by homogeneous fluorescence release assay

J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
BindingDB Entry DOI: 10.7270/Q23X88DK
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))		BDBM50087841
PNG
(CHEMBL3426804)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1
Show InChI InChI=1S/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+
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n/an/a 9.37E+3n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC5 (unknown origin) by homogeneous fluorescence release assay

J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
BindingDB Entry DOI: 10.7270/Q23X88DK
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))		BDBM50087841
PNG
(CHEMBL3426804)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1
Show InChI InChI=1S/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+
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n/an/a 1.17E+4n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC4 (unknown origin) by homogeneous fluorescence release assay

J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
BindingDB Entry DOI: 10.7270/Q23X88DK
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50087841
PNG
(CHEMBL3426804)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1
Show InChI InChI=1S/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+
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n/an/a 80n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3 (unknown origin) by homogeneous fluorescence release assay

J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
BindingDB Entry DOI: 10.7270/Q23X88DK
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50087841
PNG
(CHEMBL3426804)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1
Show InChI InChI=1S/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+
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n/an/a 1.77E+3n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) by homogeneous fluorescence release assay

J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
BindingDB Entry DOI: 10.7270/Q23X88DK
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))		BDBM50087841
PNG
(CHEMBL3426804)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1
Show InChI InChI=1S/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+
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n/an/a 10n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) by homogeneous fluorescence release assay

J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
BindingDB Entry DOI: 10.7270/Q23X88DK
More data for this
Ligand-Target Pair