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Compile Data Set for Download or QSAR

Found 1373 hits of ic50 data for polymerid = 2482   
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 2


(Homo sapiens (Human))
BDBM50105327
PNG
(JNJ-26481585 | QUISINOSTAT | Quisinostat)
Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)
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n/an/a 0.330n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus infected Sf9 cells using RHKK-Ac as substrate by fluorescence analysis


J Med Chem 59: 8967-9004 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50101331
PNG
(CHEMBL3329621)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCSSCC\C=C\[C@@H]1CC(=O)NCc3nc(cs3)C3=N[C@@](C)(CS3)C(=O)N[C@@H](C(C)C)C(=O)O1)n2
Show InChI InChI=1/C42H54N8O8S6/c1-23(2)33-37(53)57-25(15-29(51)43-17-31-45-27(19-59-31)35-49-41(5,21-61-35)39(55)47-33)11-7-9-13-63-64-14-10-8-12-26-16-30(52)44-18-32-46-28(20-60-32)36-50-42(6,22-62-36)40(56)48-34(24(3)4)38(54)58-26/h7-8,11-12,19-20,23-26,33-34H,9-10,13-18,21-22H2,1-6H3,(H,43,51)(H,44,52)(H,47,55)(H,48,56)/b11-7+,12-8+/t25-,26-,33+,34+,41+,42+/s2
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n/an/a 0.5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Center for Natural Products, Drug Discovery and Development (CNPD3), University of Florida , Gainesville, Florida 32610, United States ; Marine Science Institute

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) incubated for 30 mins in presence of BSA and DTT by fluorescence assay


ACS Med Chem Lett 5: 905-10 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(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 0.800n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


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

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM323709
PNG
(US10188756, Compound CN133)
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n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories





Bioorg Med Chem Lett 15: 2533-6 (2005)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50101330
PNG
(CHEMBL3329622)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCSSC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n2
Show InChI InChI=1/C33H49N5O8S4/c1-19(2)25-28(41)44-20(14-23(39)34-15-24-35-21(16-47-24)26-38-33(9,18-48-26)29(42)37-25)12-10-11-13-49-50-17-22(27(40)45-31(3,4)5)36-30(43)46-32(6,7)8/h10,12,16,19-20,22,25H,11,13-15,17-18H2,1-9H3,(H,34,39)(H,36,43)(H,37,42)/b12-10+/t20-,22+,25+,33+/s2
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n/an/a 0.900n/an/an/an/an/an/a



Department of Medicinal Chemistry and Center for Natural Products, Drug Discovery and Development (CNPD3), University of Florida , Gainesville, Florida 32610, United States ; Marine Science Institute

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) incubated for 30 mins in presence of BSA and DTT by fluorescence assay


ACS Med Chem Lett 5: 905-10 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50020912
PNG
(LARGAZOLE THIOL | Largazole Thiol)
Show SMILES CC(C)[C@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2
Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17-,21+/m1/s1
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Duke University

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) incubated at 37 degC for 30 mins


Bioorg Med Chem Lett 24: 3728-31 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50020912
PNG
(LARGAZOLE THIOL | Largazole Thiol)
Show SMILES CC(C)[C@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2
Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17-,21+/m1/s1
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Department of Medicinal Chemistry and Center for Natural Products, Drug Discovery and Development (CNPD3), University of Florida , Gainesville, Florida 32610, United States ; Marine Science Institute

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) incubated for 30 mins in presence of BSA and in absence of DTT by fluorescence assay


ACS Med Chem Lett 5: 905-10 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50238632
PNG
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Inhibition of HDAC2


Bioorg Med Chem 18: 4103-10 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US8748451, 6 | US92...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a>1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232358
PNG
(CHEMBL4096845)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50143894
PNG
(CHEMBL3759921)
Show SMILES ONC(=O)CCCCCCC(=O)N\N=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H25N3O3/c25-20(10-6-1-2-7-11-21(26)24-27)23-22-16-17-12-14-19(15-13-17)18-8-4-3-5-9-18/h3-5,8-9,12-16,27H,1-2,6-7,10-11H2,(H,23,25)(H,24,26)/b22-16+
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n/an/a 1n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232364
PNG
(CHEMBL4086671)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50156678
PNG
(CHEMBL3792392)
Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+
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n/an/a>1n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrat...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232359
PNG
(CHEMBL4078822)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(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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University of Notre Dame

Curated by ChEMBL


Assay Description
Inhibition of HDAC2


Bioorg Med Chem 18: 4103-10 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19151
PNG
((1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-bis(propa...)
Show SMILES C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C
Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 using Ac-Lys(Ac)-AMC as substrate after 30 mins by fluorescence analysis


ACS Med Chem Lett 3: 505-508 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232351
PNG
(CHEMBL4100664)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50354086
PNG
(FK-228 | Istodax | ROMIDEPSIN)
Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C
Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1
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Department of Medicinal Chemistry and Center for Natural Products, Drug Discovery and Development (CNPD3), University of Florida , Gainesville, Florida 32610, United States ; Marine Science Institute

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) incubated for 30 mins in presence of BSA and DTT by fluorescence assay


ACS Med Chem Lett 5: 905-10 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232363
PNG
(CHEMBL4102147)
PDB
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50055515
PNG
(CHEMBL3317818)
Show SMILES CC(C)(C)OC(=O)n1cnc(C[C@@H]2NC(=O)[C@]3(C)CSC(=N3)c3csc(CNC(=O)C[C@H](OC2=O)\C=C\CCS)n3)c1
Show InChI InChI=1/C27H34N6O6S3/c1-26(2,3)39-25(37)33-12-16(29-15-33)9-18-23(35)38-17(7-5-6-8-40)10-20(34)28-11-21-30-19(13-41-21)22-32-27(4,14-42-22)24(36)31-18/h5,7,12-13,15,17-18,40H,6,8-11,14H2,1-4H3,(H,28,34)(H,31,36)/b7-5+/t17-,18+,27+/s2
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Duke University

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) incubated at 37 degC for 30 mins


Bioorg Med Chem Lett 24: 3728-31 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50055513
PNG
(CHEMBL3317811)
Show SMILES C[C@@]12CSC(=N1)c1csc(CNC(=O)C[C@H](OC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)\C=C\CCS)n1
Show InChI InChI=1/C25H28N4O5S3/c1-25-14-37-22(29-25)19-13-36-21(27-19)12-26-20(31)11-17(4-2-3-9-35)34-23(32)18(28-24(25)33)10-15-5-7-16(30)8-6-15/h2,4-8,13,17-18,30,35H,3,9-12,14H2,1H3,(H,26,31)(H,28,33)/b4-2+/t17-,18+,25+/s2
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Duke University

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) incubated at 37 degC for 30 mins


Bioorg Med Chem Lett 24: 3728-31 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(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 1.10n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay


Eur J Med Chem 52: 111-22 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(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 1.10n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrat...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232354
PNG
(CHEMBL4066920)
PDB
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n/an/a 1.20n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM323704
PNG
(US10188756, Compound CN107)
PDB
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories





Bioorg Med Chem Lett 15: 2533-6 (2005)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232353
PNG
(CHEMBL4104052)
PDB
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n/an/a 1.30n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232352
PNG
(CHEMBL4073888)
PDB
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n/an/a 1.30n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50055512
PNG
(CHEMBL3317812)
Show SMILES C[C@@]12CSC(=N1)c1csc(CNC(=O)C[C@H](OC(=O)[C@H](Cc3c[nH]cn3)NC2=O)\C=C\CCS)n1
Show InChI InChI=1/C22H26N6O4S3/c1-22-11-35-19(28-22)16-10-34-18(26-16)9-24-17(29)7-14(4-2-3-5-33)32-20(30)15(27-21(22)31)6-13-8-23-12-25-13/h2,4,8,10,12,14-15,33H,3,5-7,9,11H2,1H3,(H,23,25)(H,24,29)(H,27,31)/b4-2+/t14-,15+,22+/s2
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n/an/a 1.40n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) incubated at 37 degC for 30 mins


Bioorg Med Chem Lett 24: 3728-31 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50055516
PNG
(CHEMBL3317817)
Show SMILES CC(C)(C)OC(=O)NCCC[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2
Show InChI InChI=1/C26H37N5O6S3/c1-25(2,3)37-24(35)27-10-7-9-17-22(33)36-16(8-5-6-11-38)12-19(32)28-13-20-29-18(14-39-20)21-31-26(4,15-40-21)23(34)30-17/h5,8,14,16-17,38H,6-7,9-13,15H2,1-4H3,(H,27,35)(H,28,32)(H,30,34)/b8-5+/t16-,17+,26+/s2
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Duke University

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) incubated at 37 degC for 30 mins


Bioorg Med Chem Lett 24: 3728-31 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50123617
PNG
(CHEMBL3622726)
Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C
Show InChI InChI=1/C24H38N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15(9-7-8-10-35)11-18(29)27-19(13(2)3)23(32)26-17(12-36)22(31)25-16/h6-7,9,13-15,17,19-20,35-36H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19-,20+/s2
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n/an/a 1.40n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 after 60 mins by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232360
PNG
(CHEMBL4104572)
PDB
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n/an/a 1.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232356
PNG
(CHEMBL4094410)
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n/an/a 1.60n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50055514
PNG
(CHEMBL3317810)
Show SMILES C[C@@]12CSC(=N1)c1csc(CNC(=O)C[C@H](OC(=O)[C@H](Cc3ccccc3)NC2=O)\C=C\CCS)n1
Show InChI InChI=1/C25H28N4O4S3/c1-25-15-36-22(29-25)19-14-35-21(27-19)13-26-20(30)12-17(9-5-6-10-34)33-23(31)18(28-24(25)32)11-16-7-3-2-4-8-16/h2-5,7-9,14,17-18,34H,6,10-13,15H2,1H3,(H,26,30)(H,28,32)/b9-5+/t17-,18+,25+/s2
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n/an/a 1.70n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) incubated at 37 degC for 30 mins


Bioorg Med Chem Lett 24: 3728-31 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232361
PNG
(CHEMBL4084222)
PDB
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n/an/a 1.70n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(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 1.70n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 after 30 mins by fluorometric assay


J Med Chem 55: 3777-91 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (Human))
BDBM213179
PNG
(US9278963, 028)
Show SMILES ONC(=O)c1cnc(NC2(CCN(CC2)C(=O)Cc2c[nH]c3ccccc23)c2ccccc2)nc1
Show InChI InChI=1S/C26H26N6O3/c33-23(14-18-15-27-22-9-5-4-8-21(18)22)32-12-10-26(11-13-32,20-6-2-1-3-7-20)30-25-28-16-19(17-29-25)24(34)31-35/h1-9,15-17,27,35H,10-14H2,(H,31,34)(H,28,29,30)
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US Patent
n/an/a 2n/an/an/an/a7.425



Acetylon Pharmaceuticals, Inc.

US Patent


Assay Description
The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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n/an/a 2n/an/an/an/a7.425



Broad Institute of Harvard and MIT



Assay Description
Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...


ACS Chem Biol 11: 363-74 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM323707
PNG
(US10188756, Compound CN113)
PDB
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories





Bioorg Med Chem Lett 15: 2533-6 (2005)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50143884
PNG
(CHEMBL3759982)
Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H23N3O3/c24-19(9-5-2-6-10-20(25)23-26)22-21-15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1,3-4,7-8,11-15,26H,2,5-6,9-10H2,(H,22,24)(H,23,25)/b21-15+
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n/an/a 2.10n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50342750
PNG
(CHEMBL1771484 | N,8-dihydroxy-8-(2-(4-(prop-2-ynyl...)
Show SMILES ONC(=O)CCCCCCC(=O)NN=Cc1ccc(OCC#C)cc1
Show InChI InChI=1S/C18H23N3O4/c1-2-13-25-16-11-9-15(10-12-16)14-19-20-17(22)7-5-3-4-6-8-18(23)21-24/h1,9-12,14,24H,3-8,13H2,(H,20,22)(H,21,23)
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n/an/a 2.10n/an/an/an/an/an/a



Howard Hughes Medical Institute

Curated by ChEMBL


Assay Description
Inhibition of full length HDAC2 assessed as 7-amino-4-methylcoumarin release from fluorophore conjugated substrate after 5 mins by fluorescence assay


Bioorg Med Chem Lett 21: 2601-5 (2011)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50386659
PNG
(CHEMBL2048750)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)n1ccc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C19H18N2O6S/c1-26-17-7-5-15(12-18(17)27-2)28(24,25)21-10-9-14-11-13(3-6-16(14)21)4-8-19(22)20-23/h3-12,23H,1-2H3,(H,20,22)/b8-4+
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n/an/a 2.30n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 after 30 mins by fluorometric assay


J Med Chem 55: 3777-91 (2012)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232362
PNG
(CHEMBL4079799)
PDB
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n/an/a 2.40n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(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 2.5n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


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

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50188959
PNG
(CHEMBL3827894)
Show SMILES CN(Cc1nc2c(nc(nc2n1C)-c1cnc(N)nc1)N1CCOCC1)c1ncc(cn1)C(=O)NO
Show InChI InChI=1S/C21H24N12O3/c1-31(21-25-9-13(10-26-21)19(34)30-35)11-14-27-15-17(32(14)2)28-16(12-7-23-20(22)24-8-12)29-18(15)33-3-5-36-6-4-33/h7-10,35H,3-6,11H2,1-2H3,(H,30,34)(H2,22,23,24)
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n/an/a 2.60n/an/an/an/an/an/a



West China Hospital of Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant HDAC2 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC as substrate assessed as re...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50188899
PNG
(CHEMBL3827517)
Show SMILES CN(Cc1nc2c(nc(nc2n1C)-c1ccncc1)N1CCOCC1)c1ncc(cn1)C(=O)NO
Show InChI InChI=1S/C22H24N10O3/c1-30(22-24-11-15(12-25-22)21(33)29-34)13-16-26-17-19(31(16)2)27-18(14-3-5-23-6-4-14)28-20(17)32-7-9-35-10-8-32/h3-6,11-12,34H,7-10,13H2,1-2H3,(H,29,33)
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n/an/a 2.80n/an/an/an/an/an/a



West China Hospital of Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant HDAC2 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC as substrate assessed as re...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50188637
PNG
(CHEMBL3827814)
Show SMILES CN(Cc1nc2c(nc(nc2n1C)-c1ccc(N)cc1)N1CCOCC1)c1ncc(cn1)C(=O)NO
Show InChI InChI=1S/C23H26N10O3/c1-31(23-25-11-15(12-26-23)22(34)30-35)13-17-27-18-20(32(17)2)28-19(14-3-5-16(24)6-4-14)29-21(18)33-7-9-36-10-8-33/h3-6,11-12,35H,7-10,13,24H2,1-2H3,(H,30,34)
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n/an/a 2.90n/an/an/an/an/an/a



West China Hospital of Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant HDAC2 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC as substrate assessed as re...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(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 3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


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

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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n/an/a 3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(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 3.10n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


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

More data for this
Ligand-Target Pair
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