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Compile Data Set for Download or QSAR

Found 34 hits from Congenia s.r.l.   
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


(Homo sapiens (Human))
BDBM50481203
PNG
(CHEMBL569327)
Show SMILES CN1CCN(Cc2ccccc2C(=O)\C=C\c2ccc(\C=C\C(=O)NO)nc2)CC1
Show InChI InChI=1S/C23H26N4O3/c1-26-12-14-27(15-13-26)17-19-4-2-3-5-21(19)22(28)10-7-18-6-8-20(24-16-18)9-11-23(29)25-30/h2-11,16,30H,12-15,17H2,1H3,(H,25,29)/b10-7+,11-9+
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n/an/a 12n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481193
PNG
(CHEMBL569731)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)\C=C\c1cccc(\C=C\C(=O)NO)n1
Show InChI InChI=1S/C22H24N4O3/c1-25-13-15-26(16-14-25)20-9-5-17(6-10-20)21(27)11-7-18-3-2-4-19(23-18)8-12-22(28)24-29/h2-12,29H,13-16H2,1H3,(H,24,28)/b11-7+,12-8+
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n/an/a 15n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481189
PNG
(CHEMBL569546)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)\C=C\c2cccc(\C=C\C(=O)NO)c2)CC1
Show InChI InChI=1S/C24H27N3O3/c1-26-13-15-27(16-14-26)18-21-5-9-22(10-6-21)23(28)11-7-19-3-2-4-20(17-19)8-12-24(29)25-30/h2-12,17,30H,13-16,18H2,1H3,(H,25,29)/b11-7+,12-8+
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n/an/a 17n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481188
PNG
(CHEMBL571993)
Show SMILES CN1CCN(CC1)c1cccc(c1)C(=O)\C=C\c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C23H25N3O3/c1-25-12-14-26(15-13-25)21-7-3-6-20(17-21)22(27)10-8-18-4-2-5-19(16-18)9-11-23(28)24-29/h2-11,16-17,29H,12-15H2,1H3,(H,24,28)/b10-8+,11-9+
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n/an/a 20n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481200
PNG
(CHEMBL569715)
Show SMILES ONC(=O)\C=C\c1cccc(\C=C\C(=O)c2ccccc2)n1
Show InChI InChI=1S/C17H14N2O3/c20-16(13-5-2-1-3-6-13)11-9-14-7-4-8-15(18-14)10-12-17(21)19-22/h1-12,22H,(H,19,21)/b11-9+,12-10+
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n/an/a 20n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481187
PNG
(CHEMBL578393)
Show SMILES ONC(=O)\C=C\c1ccc(\C=C\C(=O)c2ccccc2)cn1
Show InChI InChI=1S/C17H14N2O3/c20-16(14-4-2-1-3-5-14)10-7-13-6-8-15(18-12-13)9-11-17(21)19-22/h1-12,22H,(H,19,21)/b10-7+,11-9+
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n/an/a 22n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481186
PNG
(CHEMBL569959)
Show SMILES CN1CCN(Cc2cccc(c2)C(=O)\C=C\c2cccc(\C=C\C(=O)NO)c2)CC1
Show InChI InChI=1S/C24H27N3O3/c1-26-12-14-27(15-13-26)18-21-6-3-7-22(17-21)23(28)10-8-19-4-2-5-20(16-19)9-11-24(29)25-30/h2-11,16-17,30H,12-15,18H2,1H3,(H,25,29)/b10-8+,11-9+
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n/an/a 24n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481185
PNG
(CHEMBL583545)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)\C=C\c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C23H25N3O3/c1-25-13-15-26(16-14-25)21-9-7-20(8-10-21)22(27)11-5-18-3-2-4-19(17-18)6-12-23(28)24-29/h2-12,17,29H,13-16H2,1H3,(H,24,28)/b11-5+,12-6+
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n/an/a 27n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481199
PNG
(CHEMBL570214)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)\C=C\c2ccc(\C=C\C(=O)NO)nc2)CC1
Show InChI InChI=1S/C23H26N4O3/c1-26-12-14-27(15-13-26)17-19-2-6-20(7-3-19)22(28)10-5-18-4-8-21(24-16-18)9-11-23(29)25-30/h2-11,16,30H,12-15,17H2,1H3,(H,25,29)/b10-5+,11-9+
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n/an/a 27n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481184
PNG
(CHEMBL571103)
Show SMILES CN1CCN(CC1)c1cccc(c1)C(=O)\C=C\c1ccc(\C=C\C(=O)NO)nc1
Show InChI InChI=1S/C22H24N4O3/c1-25-11-13-26(14-12-25)20-4-2-3-18(15-20)21(27)9-6-17-5-7-19(23-16-17)8-10-22(28)24-29/h2-10,15-16,29H,11-14H2,1H3,(H,24,28)/b9-6+,10-8+
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n/an/a 30n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481192
PNG
(CHEMBL571104)
Show SMILES CN1CCN(CC1)c1cccc(c1)C(=O)\C=C\c1cccc(\C=C\C(=O)NO)n1
Show InChI InChI=1S/C22H24N4O3/c1-25-12-14-26(15-13-25)20-7-2-4-17(16-20)21(27)10-8-18-5-3-6-19(23-18)9-11-22(28)24-29/h2-11,16,29H,12-15H2,1H3,(H,24,28)/b10-8+,11-9+
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n/an/a 32n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481198
PNG
(CHEMBL577513)
Show SMILES CN1CCN(CC1)c1ccccc1C(=O)\C=C\c1cccc(\C=C\C(=O)NO)n1
Show InChI InChI=1S/C22H24N4O3/c1-25-13-15-26(16-14-25)20-8-3-2-7-19(20)21(27)11-9-17-5-4-6-18(23-17)10-12-22(28)24-29/h2-12,29H,13-16H2,1H3,(H,24,28)/b11-9+,12-10+
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n/an/a 33n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481183
PNG
(CHEMBL568872)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)\C=C\c2cccc(\C=C\C(=O)NO)n2)CC1
Show InChI InChI=1S/C23H26N4O3/c1-26-13-15-27(16-14-26)17-18-5-7-19(8-6-18)22(28)11-9-20-3-2-4-21(24-20)10-12-23(29)25-30/h2-12,30H,13-17H2,1H3,(H,25,29)/b11-9+,12-10+
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n/an/a 41n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481181
PNG
(CHEMBL584733)
Show SMILES CN1CCN(Cc2ccccc2C(=O)\C=C\c2cccc(\C=C\C(=O)NO)n2)CC1
Show InChI InChI=1S/C23H26N4O3/c1-26-13-15-27(16-14-26)17-18-5-2-3-8-21(18)22(28)11-9-19-6-4-7-20(24-19)10-12-23(29)25-30/h2-12,30H,13-17H2,1H3,(H,25,29)/b11-9+,12-10+
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n/an/a 53n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481182
PNG
(CHEMBL569748)
Show SMILES CN1CCN(Cc2cccc(c2)C(=O)\C=C\c2ccc(\C=C\C(=O)NO)nc2)CC1
Show InChI InChI=1S/C23H26N4O3/c1-26-11-13-27(14-12-26)17-19-3-2-4-20(15-19)22(28)9-6-18-5-7-21(24-16-18)8-10-23(29)25-30/h2-10,15-16,30H,11-14,17H2,1H3,(H,25,29)/b9-6+,10-8+
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n/an/a 53n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 55n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


Eur J Med Chem 64: 273-84 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.061
BindingDB Entry DOI: 10.7270/Q2TT4SBV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481197
PNG
(CHEMBL569730)
Show SMILES CN1CCN(Cc2cccc(c2)C(=O)\C=C\c2cccc(\C=C\C(=O)NO)n2)CC1
Show InChI InChI=1S/C23H26N4O3/c1-26-12-14-27(15-13-26)17-18-4-2-5-19(16-18)22(28)10-8-20-6-3-7-21(24-20)9-11-23(29)25-30/h2-11,16,30H,12-15,17H2,1H3,(H,25,29)/b10-8+,11-9+
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n/an/a 56n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50361444
PNG
(CHEMBL1938433)
Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccccc4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(10-12-25(13-11-23)16-18-4-2-1-3-5-18)29-21-8-6-17(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27)/b9-7+
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n/an/a 65n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


Eur J Med Chem 64: 273-84 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.061
BindingDB Entry DOI: 10.7270/Q2TT4SBV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481180
PNG
(CHEMBL577946)
Show SMILES CN1CCN(Cc2ccccc2C(=O)\C=C\c2cccc(\C=C\C(=O)NO)c2)CC1
Show InChI InChI=1S/C24H27N3O3/c1-26-13-15-27(16-14-26)18-21-7-2-3-8-22(21)23(28)11-9-19-5-4-6-20(17-19)10-12-24(29)25-30/h2-12,17,30H,13-16,18H2,1H3,(H,25,29)/b11-9+,12-10+
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n/an/a 74n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481190
PNG
(CHEMBL569326)
Show SMILES ONC(=O)\C=C\c1cccc(\C=C\C(=O)c2ccccc2)c1
Show InChI InChI=1S/C18H15NO3/c20-17(16-7-2-1-3-8-16)11-9-14-5-4-6-15(13-14)10-12-18(21)19-22/h1-13,22H,(H,19,21)/b11-9+,12-10+
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n/an/a 85n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481204
PNG
(CHEMBL570215)
Show SMILES CN1CCN(CC1)c1ccccc1C(=O)\C=C\c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C23H25N3O3/c1-25-13-15-26(16-14-25)21-8-3-2-7-20(21)22(27)11-9-18-5-4-6-19(17-18)10-12-23(28)24-29/h2-12,17,29H,13-16H2,1H3,(H,24,28)/b11-9+,12-10+
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n/an/a 87n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50435605
PNG
(CHEMBL2390999)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)CC3)NC(=O)c2c1
Show InChI InChI=1S/C22H23N3O4/c26-20(24-28)9-7-16-6-8-19-18(14-16)21(27)23-22(29-19)10-12-25(13-11-22)15-17-4-2-1-3-5-17/h1-9,14,28H,10-13,15H2,(H,23,27)(H,24,26)/b9-7+
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n/an/a 87n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


Eur J Med Chem 64: 273-84 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.061
BindingDB Entry DOI: 10.7270/Q2TT4SBV
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50435604
PNG
(CHEMBL2390995)
Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccc(F)cc4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C23H23FN2O4/c24-18-5-1-17(2-6-18)15-26-11-9-23(10-12-26)14-20(27)19-13-16(3-7-21(19)30-23)4-8-22(28)25-29/h1-8,13,29H,9-12,14-15H2,(H,25,28)/b8-4+
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n/an/a 90n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


Eur J Med Chem 64: 273-84 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.061
BindingDB Entry DOI: 10.7270/Q2TT4SBV
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50435606
PNG
(CHEMBL2390996)
Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(CCc4ccccc4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C24H26N2O4/c27-21-17-24(11-14-26(15-12-24)13-10-18-4-2-1-3-5-18)30-22-8-6-19(16-20(21)22)7-9-23(28)25-29/h1-9,16,29H,10-15,17H2,(H,25,28)/b9-7+
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n/an/a 130n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


Eur J Med Chem 64: 273-84 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.061
BindingDB Entry DOI: 10.7270/Q2TT4SBV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481179
PNG
(CHEMBL578606)
Show SMILES CN1CCN(CC1)c1ccccc1C(=O)\C=C\c1ccc(\C=C\C(=O)NO)nc1
Show InChI InChI=1S/C22H24N4O3/c1-25-12-14-26(15-13-25)20-5-3-2-4-19(20)21(27)10-7-17-6-8-18(23-16-17)9-11-22(28)24-29/h2-11,16,29H,12-15H2,1H3,(H,24,28)/b10-7+,11-9+
PDB

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PubMed
n/an/a 141n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481196
PNG
(CHEMBL569749)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)\C=C\c1ccc(\C=C\C(=O)NO)nc1
Show InChI InChI=1S/C22H24N4O3/c1-25-12-14-26(15-13-25)20-8-4-18(5-9-20)21(27)10-3-17-2-6-19(23-16-17)7-11-22(28)24-29/h2-11,16,29H,12-15H2,1H3,(H,24,28)/b10-3+,11-7+
PDB

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UniChem
PubMed
n/an/a 175n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481178
PNG
(CHEMBL569753)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)\C=C\c2ccc(\C=C\C(=O)NO)cc2)CC1
Show InChI InChI=1S/C24H27N3O3/c1-26-14-16-27(17-15-26)18-21-6-10-22(11-7-21)23(28)12-8-19-2-4-20(5-3-19)9-13-24(29)25-30/h2-13,30H,14-18H2,1H3,(H,25,29)/b12-8+,13-9+
PDB

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UniChem
PubMed
n/an/a 183n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481205
PNG
(CHEMBL569716)
Show SMILES CN1CCN(CC1)c1ccccc1C(=O)\C=C\c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C23H25N3O3/c1-25-14-16-26(17-15-25)21-5-3-2-4-20(21)22(27)12-10-18-6-8-19(9-7-18)11-13-23(28)24-29/h2-13,29H,14-17H2,1H3,(H,24,28)/b12-10+,13-11+
PDB

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UniChem
PubMed
n/an/a 186n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481177
PNG
(CHEMBL570213)
Show SMILES CN1CCN(Cc2cccc(c2)C(=O)\C=C\c2ccc(\C=C\C(=O)NO)cc2)CC1
Show InChI InChI=1S/C24H27N3O3/c1-26-13-15-27(16-14-26)18-21-3-2-4-22(17-21)23(28)11-9-19-5-7-20(8-6-19)10-12-24(29)25-30/h2-12,17,30H,13-16,18H2,1H3,(H,25,29)/b11-9+,12-10+
PDB

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n/an/a 226n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481201
PNG
(CHEMBL569984)
Show SMILES CN1CCN(CC1)c1cccc(c1)C(=O)\C=C\c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C23H25N3O3/c1-25-13-15-26(16-14-25)21-4-2-3-20(17-21)22(27)11-9-18-5-7-19(8-6-18)10-12-23(28)24-29/h2-12,17,29H,13-16H2,1H3,(H,24,28)/b11-9+,12-10+
PDB

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UniChem
PubMed
n/an/a 280n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481195
PNG
(CHEMBL571547)
Show SMILES ONC(=O)\C=C\c1cc(\C=C\C(=O)c2ccccc2)ccn1
Show InChI InChI=1S/C17H14N2O3/c20-16(14-4-2-1-3-5-14)8-6-13-10-11-18-15(12-13)7-9-17(21)19-22/h1-12,22H,(H,19,21)/b8-6+,9-7+
PDB

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UniChem
PubMed
n/an/a 323n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481202
PNG
(CHEMBL583028)
Show SMILES CN1CCN(Cc2ccccc2C(=O)\C=C\c2ccc(\C=C\C(=O)NO)cc2)CC1
Show InChI InChI=1S/C24H27N3O3/c1-26-14-16-27(17-15-26)18-21-4-2-3-5-22(21)23(28)12-10-19-6-8-20(9-7-19)11-13-24(29)25-30/h2-13,30H,14-18H2,1H3,(H,25,29)/b12-10+,13-11+
PDB

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UniChem
PubMed
n/an/a 350n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481191
PNG
(CHEMBL576274)
Show SMILES ONC(=O)\C=C\c1ccc(\C=C\C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C18H15NO3/c20-17(16-4-2-1-3-5-16)12-10-14-6-8-15(9-7-14)11-13-18(21)19-22/h1-13,22H,(H,19,21)/b12-10+,13-11+
PDB

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n/an/a 1.48E+3n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481194
PNG
(CHEMBL568777)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)\C=C\c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C23H25N3O3/c1-25-14-16-26(17-15-25)21-10-8-20(9-11-21)22(27)12-6-18-2-4-19(5-3-18)7-13-23(28)24-29/h2-13,29H,14-17H2,1H3,(H,24,28)/b12-6+,13-7+
PDB

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n/an/a 1.99E+3n/an/an/an/an/an/a



Congenia s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC extracted from human HeLa cells


J Med Chem 53: 822-39 (2010)

More data for this
Ligand-Target Pair