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Compile Data Set for Download or QSAR

Found 349 hits of ic50 data for polymerid = 6112   
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 9


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a 2.30n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9 using trifluoroacetyl lysine as substrate


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50268097
PNG
(6-{[2-(9H-Fluoren-9-yliden)acetyl]amino}-N-hydroxy...)
Show SMILES ONC(=O)CCCCCNC(=O)C=C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C21H22N2O3/c24-20(23-26)12-2-1-7-13-22-21(25)14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,14,26H,1-2,7,12-13H2,(H,22,25)(H,23,24)
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n/an/a 2.30n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9


Eur J Med Chem 44: 1067-85 (2009)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50268063
PNG
((E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-(7-quinoliny...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc2cccnc2c1
Show InChI InChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+
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n/an/a 2.80n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9


Eur J Med Chem 44: 1067-85 (2009)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50268121
PNG
((E)-3-(4-Chloro-2-fluorophenyl)-N-[6-(hydroxyamino...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc(Cl)cc1F
Show InChI InChI=1S/C15H18ClFN2O3/c16-12-7-5-11(13(17)10-12)6-8-14(20)18-9-3-1-2-4-15(21)19-22/h5-8,10,22H,1-4,9H2,(H,18,20)(H,19,21)/b8-6+
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n/an/a 3.90n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9


Eur J Med Chem 44: 1067-85 (2009)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50268042
PNG
((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...)
Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+
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n/an/a 4.20n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9


Eur J Med Chem 44: 1067-85 (2009)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50044636
PNG
(CHEMBL3309297)
Show SMILES CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@H]1CC[C@@H](CC1)\C=C\C(=O)NO
Show InChI InChI=1/C22H29N3O4/c1-22(2)12-20(27)24-18-9-8-16(11-17(18)22)21(28)23-13-15-5-3-14(4-6-15)7-10-19(26)25-29/h7-11,14-15,29H,3-6,12-13H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/b10-7+/t14-,15-
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n/an/a 5.20n/an/an/an/an/an/a



Nippon Pharmaceutical Chemicals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay


Bioorg Med Chem 22: 3720-31 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM19428
PNG
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)
Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
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n/an/a 8.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 by fluorimetric assay


J Med Chem 53: 8387-8399 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272075
PNG
((S)-1-(2,6-Difluorophenyl)-5-(3-fluoro-2- methylph...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1c(F)cccc1F)C(=O)NO
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n/an/a 12n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272078
PNG
((S)-1-(2-Chloro-6-fluorophenyl)-5-(3-fluoro-2- met...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1c(F)cccc1Cl)C(=O)NO
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n/an/a 15n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272071
PNG
((S)-1-(2-Chlorophenyl)-5-(3-fluoro-2-methylphenyl)...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccccc1Cl)C(=O)NO
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n/an/a 15n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272074
PNG
((S)-1-(3-Chloro-2-fluorophenyl)-5-(3-fluoro-2- met...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1cccc(Cl)c1F)C(=O)NO
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n/an/a 17n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272067
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-l-(2-fluorophenyl)...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccccc1F)C(=O)NO
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n/an/a 17n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272079
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-1-(2-fluoro-6- met...)
Show SMILES Cc1cccc(F)c1-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C
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n/an/a 19n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(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 20n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay


J Med Chem 54: 2165-82 (2011)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 20n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins


J Med Chem 54: 4350-64 (2011)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 20n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HDAC9 by in vitro deacetylation assay


Nat Chem Biol 6: 25-33 (2009)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272076
PNG
((S)-1-(2,5-Dimethylphenyl)-5-(3-fluoro-2- methylph...)
Show SMILES Cc1ccc(C)c(c1)-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C
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n/an/a 21n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272066
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-N-hydroxy-l-(o- to...)
Show SMILES Cc1ccccc1-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C
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n/an/a 23n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50044641
PNG
(CHEMBL3311465)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C17H23N3O4/c21-15(5-3-1-2-4-6-17(23)20-24)18-13-8-9-14-12(11-13)7-10-16(22)19-14/h8-9,11,24H,1-7,10H2,(H,18,21)(H,19,22)(H,20,23)
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n/an/a 25n/an/an/an/an/an/a



Nippon Pharmaceutical Chemicals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay


Bioorg Med Chem 22: 3720-31 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272077
PNG
((S)-1-(2,6-Dimethylphenyl)-5-(3-fluoro-2- methylph...)
Show SMILES Cc1cccc(C)c1-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C
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n/an/a 27n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272158
PNG
((R)-1-Benzyl-4-(3-fluoro-2-methylphenyl)-N-hydroxy...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCc2c1cnn2Cc1ccccc1)C(=O)NO
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n/an/a 27n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272065
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-N-hydroxy-1-phenyl...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccccc1)C(=O)NO
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n/an/a 28n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272088
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-N-hydroxy-1-(m- to...)
Show SMILES Cc1cccc(c1)-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C
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n/an/a 28n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50304782
PNG
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)
Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)
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n/an/a 28n/an/an/an/an/an/a



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9


Bioorg Med Chem Lett 20: 294-8 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272081
PNG
((S)-1-(2,4-Difluorophenyl)-5-(3-fluoro-2- methylph...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccc(F)cc1F)C(=O)NO
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n/an/a 29n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272080
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-1-(5-fluoropyridin...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccc(F)cn1)C(=O)NO
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n/an/a 31n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50044648
PNG
(CHEMBL3309288)
Show SMILES COc1ccc2cc(ccc2n1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C18H23N3O4/c1-25-17-10-8-13-12-14(7-9-15(13)20-17)18(23)19-11-5-3-2-4-6-16(22)21-24/h7-10,12,24H,2-6,11H2,1H3,(H,19,23)(H,21,22)
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n/an/a 34n/an/an/an/an/an/a



Nippon Pharmaceutical Chemicals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay


Bioorg Med Chem 22: 3720-31 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50044644
PNG
(CHEMBL3311472)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C17H23N3O4/c21-15-9-7-12-11-13(6-8-14(12)19-15)17(23)18-10-4-2-1-3-5-16(22)20-24/h6,8,11,24H,1-5,7,9-10H2,(H,18,23)(H,19,21)(H,20,22)
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n/an/a 35n/an/an/an/an/an/a



Nippon Pharmaceutical Chemicals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay


Bioorg Med Chem 22: 3720-31 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272155
PNG
((S)-1-(2-Chloro-4-fluorophenyl)-5-(3-fluoro-2- met...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccc(F)cc1Cl)C(=O)NO
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n/an/a 36n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272082
PNG
((S)-1-Cyclopentyl-5-(3-fluoro-2-methylphenyl)-N- h...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(C3CCCC3)c2C1)C(=O)NO
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n/an/a 37n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50044635
PNG
(CHEMBL3309291)
Show SMILES CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C22H23N3O4/c1-22(2)12-20(27)24-18-9-8-16(11-17(18)22)21(28)23-13-15-5-3-14(4-6-15)7-10-19(26)25-29/h3-11,29H,12-13H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/b10-7+
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n/an/a 37n/an/an/an/an/an/a



Nippon Pharmaceutical Chemicals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay


Bioorg Med Chem 22: 3720-31 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 38n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9


Bioorg Med Chem Lett 19: 2346-9 (2009)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 38n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 by fluorimetric assay


J Med Chem 53: 8387-8399 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272083
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-N-hydroxy-1- (pyra...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1cnccn1)C(=O)NO
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n/an/a 38n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50356634
PNG
(CHEMBL1914702)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cc(on1)-c1ccc(NC(=O)c2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1
Show InChI InChI=1S/C25H26N10O5/c26-34-29-15-16-11-18(13-20(12-16)31-35-27)24(37)30-19-8-6-17(7-9-19)22-14-21(33-40-22)25(38)28-10-4-2-1-3-5-23(36)32-39/h6-9,11-14,39H,1-5,10,15H2,(H,28,38)(H,30,37)(H,32,36)
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n/an/a 38n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins


J Med Chem 54: 4350-64 (2011)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(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 38n/an/an/an/an/an/a



Nippon Pharmaceutical Chemicals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay


Bioorg Med Chem 22: 3720-31 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272073
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-N-hydroxy-1-(p- to...)
Show SMILES Cc1ccc(cc1)-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C
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n/an/a 39n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50044645
PNG
(CHEMBL3311473)
Show SMILES CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C19H27N3O4/c1-19(2)12-17(24)21-15-9-8-13(11-14(15)19)18(25)20-10-6-4-3-5-7-16(23)22-26/h8-9,11,26H,3-7,10,12H2,1-2H3,(H,20,25)(H,21,24)(H,22,23)
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n/an/a 39n/an/an/an/an/an/a



Nippon Pharmaceutical Chemicals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay


Bioorg Med Chem 22: 3720-31 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50044646
PNG
(CHEMBL3309284)
Show SMILES Cn1c2ccc(cc2ccc1=O)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C18H23N3O4/c1-21-15-9-7-14(12-13(15)8-10-17(21)23)18(24)19-11-5-3-2-4-6-16(22)20-25/h7-10,12,25H,2-6,11H2,1H3,(H,19,24)(H,20,22)
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n/an/a 41n/an/an/an/an/an/a



Nippon Pharmaceutical Chemicals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay


Bioorg Med Chem 22: 3720-31 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50304783
PNG
((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...)
Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO
Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+
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n/an/a 41n/an/an/an/an/an/a



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9


Bioorg Med Chem Lett 20: 294-8 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50020164
PNG
(CHEMBL3288475)
Show SMILES Cc1ccc(cc1)-c1csc(NC(=O)CCCCCCS)n1
Show InChI InChI=1S/C17H22N2OS2/c1-13-7-9-14(10-8-13)15-12-22-17(18-15)19-16(20)6-4-2-3-5-11-21/h7-10,12,21H,2-6,11H2,1H3,(H,18,19,20)
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n/an/a 42n/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 by HDAC-Glo assay


ACS Med Chem Lett 5: 582-6 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272133
PNG
((R)-5-(3-Fluoro-2-methylphenyl)-N-hydroxy-2-(1- me...)
Show SMILES Cc1c(F)cccc1[C@]1(Cc2nc(sc2C1)-c1ccnn1C)C(=O)NO
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n/an/a 44n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272086
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-1-(4-fluoro-2- met...)
Show SMILES Cc1cc(F)ccc1-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C
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n/an/a 44n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272070
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-1-(3-fluorophenyl)...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1cccc(F)c1)C(=O)NO
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n/an/a 44n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50044642
PNG
(CHEMBL3311466)
Show SMILES CC1(C)CC(=O)Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc12
Show InChI InChI=1S/C19H27N3O4/c1-19(2)12-18(25)21-15-10-9-13(11-14(15)19)20-16(23)7-5-3-4-6-8-17(24)22-26/h9-11,26H,3-8,12H2,1-2H3,(H,20,23)(H,21,25)(H,22,24)
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n/an/a 45n/an/an/an/an/an/a



Nippon Pharmaceutical Chemicals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay


Bioorg Med Chem 22: 3720-31 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50044643
PNG
(CHEMBL3311471)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc2[nH]c(=O)ccc2c1
Show InChI InChI=1S/C17H21N3O4/c21-15-9-7-12-11-13(6-8-14(12)19-15)17(23)18-10-4-2-1-3-5-16(22)20-24/h6-9,11,24H,1-5,10H2,(H,18,23)(H,19,21)(H,20,22)
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n/an/a 46n/an/an/an/an/an/a



Nippon Pharmaceutical Chemicals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay


Bioorg Med Chem 22: 3720-31 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272157
PNG
((S)-1-Benzyl-5-(3-fluoro-2-methylphenyl)-N-hydroxy...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(Cc3ccccc3)c2C1)C(=O)NO
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n/an/a 48n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272122
PNG
((S)-1-Cyclopropyl-5-(3-fluoro-2-methylphenyl)-N- h...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(C3CC3)c2C1)C(=O)NO
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n/an/a 48n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50044639
PNG
(CHEMBL3309300)
Show SMILES CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@@H]1CC[C@H](CCC(=O)NO)CC1
Show InChI InChI=1/C22H31N3O4/c1-22(2)12-20(27)24-18-9-8-16(11-17(18)22)21(28)23-13-15-5-3-14(4-6-15)7-10-19(26)25-29/h8-9,11,14-15,29H,3-7,10,12-13H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/t14-,15+
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n/an/a 50n/an/an/an/an/an/a



Nippon Pharmaceutical Chemicals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay


Bioorg Med Chem 22: 3720-31 (2014)

More data for this
Ligand-Target Pair
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