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Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'srinivasulu' and Initial = 'v'   
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 1


(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 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal FLAG/His-tagged human recombinant HDAC1 (1 to 482 residues) expressed in baculovirus-infected Sf9 cells assessed as reductio...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6XHis-tagged human recombinant full length HDAC2 (1 to 488 residues) expressed in baculovirus-infected Sf9 cells assessed as...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50568248
PNG
(CHEMBL4879105)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)C1
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-4-...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(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 19n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged human recombinant full length HDAC3 (1 to 428 residues)/N-terminal GST-tagged human recombinant NCOR2 (395 to 489...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50568248
PNG
(CHEMBL4879105)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)C1
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n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged/C-terminal His-tagged human recombinant HDAC4 (627 to 1084 residues) expressed in baculovirus-infected Sf9 cells ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50568248
PNG
(CHEMBL4879105)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)C1
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n/an/a 48n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-4...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50568248
PNG
(CHEMBL4879105)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)C1
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n/an/a 61n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human recombinant full length HDAC5 expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50568243
PNG
(CHEMBL4846752)
Show SMILES ONC(=N)c1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1
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n/an/a 233n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CYP3A4 expressed in insect supersomes assessed as reduction in 10-hydroxymidazolam formation using midazolam as substrate measure...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50568245
PNG
(CHEMBL4861149)
Show SMILES CC(C)(C)Nc1c(nc2cnccn12)-c1cccc(c1)-c1nc2cc(ccc2[nH]1)-c1noc(n1)C(F)(F)F
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n/an/a 307n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human recombinant full length HDAC5 expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50568244
PNG
(CHEMBL4862147)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2cc(ccc2[nH]1)-c1noc(n1)C(F)(F)F
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n/an/a 310n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human recombinant full length HDAC5 expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50568243
PNG
(CHEMBL4846752)
Show SMILES ONC(=N)c1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1
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n/an/a 400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6XHis-tagged human recombinant full length HDAC2 (1 to 488 residues) expressed in baculovirus-infected Sf9 cells assessed as...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50568243
PNG
(CHEMBL4846752)
Show SMILES ONC(=N)c1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1
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n/an/a 550n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal FLAG/His-tagged human recombinant HDAC1 (1 to 482 residues) expressed in baculovirus-infected Sf9 cells assessed as reductio...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50198301
PNG
((3aS,10R)-2-butyl-10-(3-hydroxy-phenyl)-3a,4,9,10-...)
Show SMILES CCCCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(O)c3)n2c1=O
Show InChI InChI=1S/C23H23N3O3/c1-2-3-11-25-22(28)19-13-17-16-9-4-5-10-18(16)24-20(17)21(26(19)23(25)29)14-7-6-8-15(27)12-14/h4-10,12,21,24,27-28H,2-3,11,13H2,1H3/t21-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 5413-7 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.038
BindingDB Entry DOI: 10.7270/Q2QJ7JWK
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50035218
PNG
(CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...)
Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12 |r|
Show InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1
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n/an/a 810n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization measured for 1 hr at 1 min intervals by fluorescence assay


Bioorg Med Chem Lett 24: 3356-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.096
BindingDB Entry DOI: 10.7270/Q2X068PJ
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50568246
PNG
(CHEMBL4854692)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1noc(n1)C(F)(F)F
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n/an/a 812n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human recombinant full length HDAC5 expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50568244
PNG
(CHEMBL4862147)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2cc(ccc2[nH]1)-c1noc(n1)C(F)(F)F
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n/an/a 818n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-4...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50046752
PNG
(CHEMBL3309648)
Show SMILES COc1ccc(F)c(c1)C1C2=C(COC2=O)Nc2c1c1cccnc1c1ncccc21 |t:11|
Show InChI InChI=1S/C24H16FN3O3/c1-30-12-6-7-16(25)15(10-12)18-19-13-4-2-8-26-22(13)23-14(5-3-9-27-23)21(19)28-17-11-31-24(29)20(17)18/h2-10,18,28H,11H2,1H3
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n/an/a 830n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization measured for 1 hr at 1 min intervals by fluorescence assay


Bioorg Med Chem Lett 24: 3356-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.096
BindingDB Entry DOI: 10.7270/Q2X068PJ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50046812
PNG
(CHEMBL3309649)
Show SMILES Fc1ccc(cc1F)C1C2=C(COC2=O)Nc2c1c1cccnc1c1ncccc21 |t:10|
Show InChI InChI=1S/C23H13F2N3O2/c24-14-6-5-11(9-15(14)25)17-18-12-3-1-7-26-21(12)22-13(4-2-8-27-22)20(18)28-16-10-30-23(29)19(16)17/h1-9,17,28H,10H2
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n/an/a 920n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization measured for 1 hr at 1 min intervals by fluorescence assay


Bioorg Med Chem Lett 24: 3356-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.096
BindingDB Entry DOI: 10.7270/Q2X068PJ
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50568248
PNG
(CHEMBL4879105)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)C1
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n/an/a 1.09E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged human recombinant full length HDAC3 (1 to 428 residues)/N-terminal GST-tagged human recombinant NCOR2 (395 to 489...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50568247
PNG
(CHEMBL4854201)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1ccc(F)cc1N
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n/an/a 1.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-4...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50568244
PNG
(CHEMBL4862147)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2cc(ccc2[nH]1)-c1noc(n1)C(F)(F)F
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n/an/a 1.65E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged/C-terminal His-tagged human recombinant HDAC4 (627 to 1084 residues) expressed in baculovirus-infected Sf9 cells ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50046751
PNG
(CHEMBL3309646)
Show SMILES COc1ccc(OC)c(c1)C1C2=C(COC2=O)Nc2c1c1cccnc1c1ncccc21 |t:12|
Show InChI InChI=1S/C25H19N3O4/c1-30-13-7-8-18(31-2)16(11-13)19-20-14-5-3-9-26-23(14)24-15(6-4-10-27-24)22(20)28-17-12-32-25(29)21(17)19/h3-11,19,28H,12H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization measured for 1 hr at 1 min intervals by fluorescence assay


Bioorg Med Chem Lett 24: 3356-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.096
BindingDB Entry DOI: 10.7270/Q2X068PJ
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50568247
PNG
(CHEMBL4854201)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1ccc(F)cc1N
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n/an/a 2.12E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged human recombinant full length HDAC3 (1 to 428 residues)/N-terminal GST-tagged human recombinant NCOR2 (395 to 489...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50568246
PNG
(CHEMBL4854692)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1noc(n1)C(F)(F)F
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n/an/a 2.31E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-4...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50568246
PNG
(CHEMBL4854692)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1noc(n1)C(F)(F)F
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n/an/a 3.58E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged/C-terminal His-tagged human recombinant HDAC4 (627 to 1084 residues) expressed in baculovirus-infected Sf9 cells ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50568244
PNG
(CHEMBL4862147)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2cc(ccc2[nH]1)-c1noc(n1)C(F)(F)F
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n/an/a 4.85E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-4-...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50568247
PNG
(CHEMBL4854201)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1ccc(F)cc1N
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n/an/a 6.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-4-...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50568246
PNG
(CHEMBL4854692)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1noc(n1)C(F)(F)F
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n/an/a 6.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-4-...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50568245
PNG
(CHEMBL4861149)
Show SMILES CC(C)(C)Nc1c(nc2cnccn12)-c1cccc(c1)-c1nc2cc(ccc2[nH]1)-c1noc(n1)C(F)(F)F
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n/an/a 8.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged/C-terminal His-tagged human recombinant HDAC4 (627 to 1084 residues) expressed in baculovirus-infected Sf9 cells ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50568245
PNG
(CHEMBL4861149)
Show SMILES CC(C)(C)Nc1c(nc2cnccn12)-c1cccc(c1)-c1nc2cc(ccc2[nH]1)-c1noc(n1)C(F)(F)F
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-4...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50568243
PNG
(CHEMBL4846752)
Show SMILES ONC(=N)c1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-4...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 7


(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>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-4-...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50568245
PNG
(CHEMBL4861149)
Show SMILES CC(C)(C)Nc1c(nc2cnccn12)-c1cccc(c1)-c1nc2cc(ccc2[nH]1)-c1noc(n1)C(F)(F)F
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-4-...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50568243
PNG
(CHEMBL4846752)
Show SMILES ONC(=N)c1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-4-...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 5


(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>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human recombinant full length HDAC5 expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50568243
PNG
(CHEMBL4846752)
Show SMILES ONC(=N)c1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human recombinant full length HDAC5 expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 4


(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>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged/C-terminal His-tagged human recombinant HDAC4 (627 to 1084 residues) expressed in baculovirus-infected Sf9 cells ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50568247
PNG
(CHEMBL4854201)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1ccc(F)cc1N
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TBA

Assay Description
Inhibition of N-terminal GST-tagged/C-terminal His-tagged human recombinant HDAC4 (627 to 1084 residues) expressed in baculovirus-infected Sf9 cells ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50568246
PNG
(CHEMBL4854692)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1noc(n1)C(F)(F)F
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged human recombinant full length HDAC3 (1 to 428 residues)/N-terminal GST-tagged human recombinant NCOR2 (395 to 489...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50568245
PNG
(CHEMBL4861149)
Show SMILES CC(C)(C)Nc1c(nc2cnccn12)-c1cccc(c1)-c1nc2cc(ccc2[nH]1)-c1noc(n1)C(F)(F)F
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged human recombinant full length HDAC3 (1 to 428 residues)/N-terminal GST-tagged human recombinant NCOR2 (395 to 489...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50568244
PNG
(CHEMBL4862147)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2cc(ccc2[nH]1)-c1noc(n1)C(F)(F)F
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged human recombinant full length HDAC3 (1 to 428 residues)/N-terminal GST-tagged human recombinant NCOR2 (395 to 489...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50568243
PNG
(CHEMBL4846752)
Show SMILES ONC(=N)c1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged human recombinant full length HDAC3 (1 to 428 residues)/N-terminal GST-tagged human recombinant NCOR2 (395 to 489...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50568247
PNG
(CHEMBL4854201)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1ccc(F)cc1N
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6XHis-tagged human recombinant full length HDAC2 (1 to 488 residues) expressed in baculovirus-infected Sf9 cells assessed as...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50568246
PNG
(CHEMBL4854692)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1noc(n1)C(F)(F)F
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6XHis-tagged human recombinant full length HDAC2 (1 to 488 residues) expressed in baculovirus-infected Sf9 cells assessed as...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50568245
PNG
(CHEMBL4861149)
Show SMILES CC(C)(C)Nc1c(nc2cnccn12)-c1cccc(c1)-c1nc2cc(ccc2[nH]1)-c1noc(n1)C(F)(F)F
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6XHis-tagged human recombinant full length HDAC2 (1 to 488 residues) expressed in baculovirus-infected Sf9 cells assessed as...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50568244
PNG
(CHEMBL4862147)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2cc(ccc2[nH]1)-c1noc(n1)C(F)(F)F
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TBA

Assay Description
Inhibition of C-terminal 6XHis-tagged human recombinant full length HDAC2 (1 to 488 residues) expressed in baculovirus-infected Sf9 cells assessed as...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50568247
PNG
(CHEMBL4854201)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1ccc(F)cc1N
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal FLAG/His-tagged human recombinant HDAC1 (1 to 482 residues) expressed in baculovirus-infected Sf9 cells assessed as reductio...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50568246
PNG
(CHEMBL4854692)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1noc(n1)C(F)(F)F
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal FLAG/His-tagged human recombinant HDAC1 (1 to 482 residues) expressed in baculovirus-infected Sf9 cells assessed as reductio...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50568245
PNG
(CHEMBL4861149)
Show SMILES CC(C)(C)Nc1c(nc2cnccn12)-c1cccc(c1)-c1nc2cc(ccc2[nH]1)-c1noc(n1)C(F)(F)F
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TBA

Assay Description
Inhibition of C-terminal FLAG/His-tagged human recombinant HDAC1 (1 to 482 residues) expressed in baculovirus-infected Sf9 cells assessed as reductio...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50568244
PNG
(CHEMBL4862147)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2cc(ccc2[nH]1)-c1noc(n1)C(F)(F)F
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal FLAG/His-tagged human recombinant HDAC1 (1 to 482 residues) expressed in baculovirus-infected Sf9 cells assessed as reductio...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
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