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Compile Data Set for Download or QSAR

Found 106 hits with Last Name = 'zwergel' and Initial = 'c'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50087845
PNG
(CHEMBL3426803)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26)
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n/an/a 7n/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
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=1/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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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
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50087845
PNG
(CHEMBL3426803)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26)
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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 10 (HDAC10)


(Homo sapiens (Human))
BDBM50087845
PNG
(CHEMBL3426803)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26)
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n/an/a 40n/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
Dual specificity phosphatase Cdc25A


(Homo sapiens (Human))
BDBM50208827
PNG
(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Show SMILES OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O |c:4|
Show InChI InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2
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n/an/a 55n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Compound was evaluated for functional activation from channel currents at human Nicotinic acetylcholine receptor alpha-7 expressed in oocytes.


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50208827
PNG
(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Show SMILES OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O |c:4|
Show InChI InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2
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n/an/a 78n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
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=1/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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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 11


(Homo sapiens (Human))
BDBM50087845
PNG
(CHEMBL3426803)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26)
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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
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
CHEMBL4093222
PNG
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Sapienza University of Rome

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principall...


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50087845
PNG
(CHEMBL3426803)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26)
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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 2


(Homo sapiens (Human))
BDBM50087845
PNG
(CHEMBL3426803)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26)
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n/an/a 110n/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
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448484
PNG
(CHEMBL3126646)
Show SMILES Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-14-25(34-27(28)30-17)32-20-8-5-9-21(16-20)33-26(35)18-6-4-7-19(15-18)31-24-12-13-29-23-11-3-2-10-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 120n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
CHEMBL4066424
PNG
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n/an/a 300n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448487
PNG
(CHEMBL2385821)
Show SMILES Cc1cc(Nc2cccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)c2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-15-25(34-27(28)30-17)32-20-5-4-6-21(16-20)33-26(35)18-9-11-19(12-10-18)31-24-13-14-29-23-8-3-2-7-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 370n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
CHEMBL4085485
PNG
PDB
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n/an/a 400n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principall...


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
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=1/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 8


(Homo sapiens (Human))
BDBM50087845
PNG
(CHEMBL3426803)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26)
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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
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448489
PNG
(CHEMBL3126651)
Show SMILES O=C(Nc1ccc(Nc2ccnc3ccccc23)cc1)c1ccc(Nc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C31H23N5O/c37-31(21-9-11-22(12-10-21)34-29-17-19-32-27-7-3-1-5-25(27)29)36-24-15-13-23(14-16-24)35-30-18-20-33-28-8-4-2-6-26(28)30/h1-20H,(H,32,34)(H,33,35)(H,36,37)
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Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
CHEMBL4060132
PNG
PDB
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n/an/a 690n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
CHEMBL4097725
PNG
PDB
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Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
CHEMBL4086414
PNG
PDB
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n/an/a 800n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50430056
PNG
(CHEMBL2336409 | SGI-1027)
Show SMILES Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-16-25(34-27(28)30-17)32-20-10-12-21(13-11-20)33-26(35)18-6-8-19(9-7-18)31-24-14-15-29-23-5-3-2-4-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 850n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
CHEMBL4066643
PNG
PDB
MMDB

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n/an/a 980n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principall...


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
CHEMBL4094178
PNG
PDB
MMDB

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n/an/a 1.00E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25A


(Homo sapiens (Human))
CHEMBL4066424
PNG
MMDB

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n/an/a 1.20E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
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=1/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
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
CHEMBL4075821
PNG
PDB
MMDB

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n/an/a 1.44E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25A


(Homo sapiens (Human))
CHEMBL4093222
PNG
MMDB

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n/an/a 1.50E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25A


(Homo sapiens (Human))
CHEMBL4097725
PNG
MMDB

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n/an/a 1.61E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
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=1/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
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50087841
PNG
(CHEMBL3426804)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1
Show InChI InChI=1/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
Dual specificity phosphatase Cdc25A


(Homo sapiens (Human))
CHEMBL4060132
PNG
MMDB

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n/an/a 2.19E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448488
PNG
(CHEMBL3126652)
Show SMILES Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4cc(C)nc(N)n4)cc3)cc2)nc(N)n1
Show InChI InChI=1S/C23H23N9O/c1-13-11-19(31-22(24)26-13)28-16-5-3-15(4-6-16)21(33)30-18-9-7-17(8-10-18)29-20-12-14(2)27-23(25)32-20/h3-12H,1-2H3,(H,30,33)(H3,24,26,28,31)(H3,25,27,29,32)
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n/an/a 2.23E+3n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
CHEMBL4098262
PNG
PDB
MMDB

KEGG

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n/an/a 2.30E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25A


(Homo sapiens (Human))
CHEMBL4075821
PNG
MMDB

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n/an/a 2.57E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3-like


(Homo sapiens (Human))
BDBM50448484
PNG
(CHEMBL3126646)
Show SMILES Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-14-25(34-27(28)30-17)32-20-8-5-9-21(16-20)33-26(35)18-6-4-7-19(15-18)31-24-12-13-29-23-11-3-2-10-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human DNMT3A2/3L using unmethylated DNA as substrate in presence of [methyl-3H]-AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25A


(Homo sapiens (Human))
CHEMBL4066281
PNG
MMDB

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n/an/a 2.85E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25A


(Homo sapiens (Human))
CHEMBL4066643
PNG
MMDB

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n/an/a 2.88E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25A


(Homo sapiens (Human))
CHEMBL4094178
PNG
MMDB

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n/an/a 2.90E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25A


(Homo sapiens (Human))
CHEMBL4104313
PNG
MMDB

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n/an/a 3.11E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25A


(Homo sapiens (Human))
CHEMBL4097300
PNG
MMDB

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n/an/a 3.23E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25A


(Homo sapiens (Human))
CHEMBL4094844
PNG
MMDB

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n/an/a 3.37E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principall...


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25A


(Homo sapiens (Human))
CHEMBL4085485
PNG
MMDB

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n/an/a 3.50E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
CHEMBL4105005
PNG
PDB
MMDB

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n/an/a 3.64E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [125 I]alpha-bungarotoxin (alpha-BgT) from torpedo alpha1-beta1-gamma1 electroplax


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25A


(Homo sapiens (Human))
CHEMBL4082819
PNG
MMDB

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n/an/a 4.04E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principall...


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448485
PNG
(CHEMBL3126645)
Show SMILES Cc1cc(Nc2ccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)cc2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-15-25(34-27(28)30-17)32-19-9-11-20(12-10-19)33-26(35)18-5-4-6-21(16-18)31-24-13-14-29-23-8-3-2-7-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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n/an/a 4.11E+3n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25A


(Homo sapiens (Human))
CHEMBL4067408
PNG
MMDB

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n/an/a 4.33E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
CHEMBL4097300
PNG
PDB
MMDB

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n/an/a 4.37E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
CHEMBL4066281
PNG
PDB
MMDB

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n/an/a 4.46E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
CHEMBL4094844
PNG
PDB
MMDB

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n/an/a 4.67E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL




Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
More data for this
Ligand-Target Pair
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