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Compile Data Set for Download or QSAR

Found 145 hits with Last Name = 'tillekeratne' and Initial = 'lm'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50588566
PNG
(CHEMBL5209294)
Show SMILES ONC(=O)CCCCCCNC(=O)c1csc(n1)C#C
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n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50588561
PNG
(CHEMBL5193020)
Show SMILES ONC(=O)CCCCC\C=C/c1csc(Br)n1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50588560
PNG
(CHEMBL5172507)
Show SMILES ONC(=O)CCCCCCNC(=O)c1csc(Br)n1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50588568
PNG
(CHEMBL5186798)
Show SMILES ONC(=O)CCCCC\C=C\c1csc(n1)C#C
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
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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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50550344
PNG
(CHEMBL4798363)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cccc(n2)-c2cccc(n2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
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TBA

Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 15 mins before substrate addition and measured after 30 to 45 mins by HDAC-Glo substra...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SG7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50588563
PNG
(CHEMBL5174162)
Show SMILES ONC(=O)CCCCC\C=C\c1csc(Br)n1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50588567
PNG
(CHEMBL5181798)
Show SMILES ONC(=O)CCCCC\C=C/c1csc(n1)C#C
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50550344
PNG
(CHEMBL4798363)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cccc(n2)-c2cccc(n2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
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TBA

Assay Description
Inhibition of recombinant HDAC3 (unknown origin)incubated for 15 mins before substrate addition and measured after 30 to 45 mins by HDAC-Glo substrat...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SG7
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50550344
PNG
(CHEMBL4798363)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cccc(n2)-c2cccc(n2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
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TBA

Assay Description
Inhibition of recombinant HDAC2 (unknown origin)incubated for 15 mins before substrate addition and measured after 30 to 45 mins by HDAC-Glo substrat...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SG7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
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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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
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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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50588566
PNG
(CHEMBL5209294)
Show SMILES ONC(=O)CCCCCCNC(=O)c1csc(n1)C#C
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50322422
PNG
(CHEMBL1173445 | Largazole)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26|
Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
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TBA

Assay Description
Inhibition of recombinant HDAC3 (unknown origin)incubated for 15 mins before substrate addition and measured after 30 to 45 mins by HDAC-Glo substrat...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SG7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(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 53n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50588560
PNG
(CHEMBL5172507)
Show SMILES ONC(=O)CCCCCCNC(=O)c1csc(Br)n1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50588560
PNG
(CHEMBL5172507)
Show SMILES ONC(=O)CCCCCCNC(=O)c1csc(Br)n1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50322422
PNG
(CHEMBL1173445 | Largazole)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26|
Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
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TBA

Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 15 mins before substrate addition and measured after 30 to 45 mins by HDAC-Glo substra...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SG7
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50322422
PNG
(CHEMBL1173445 | Largazole)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26|
Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
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TBA

Assay Description
Inhibition of recombinant HDAC2 (unknown origin)incubated for 15 mins before substrate addition and measured after 30 to 45 mins by HDAC-Glo substrat...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50588566
PNG
(CHEMBL5209294)
Show SMILES ONC(=O)CCCCCCNC(=O)c1csc(n1)C#C
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50588568
PNG
(CHEMBL5186798)
Show SMILES ONC(=O)CCCCC\C=C\c1csc(n1)C#C
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50588560
PNG
(CHEMBL5172507)
Show SMILES ONC(=O)CCCCCCNC(=O)c1csc(Br)n1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50588568
PNG
(CHEMBL5186798)
Show SMILES ONC(=O)CCCCC\C=C\c1csc(n1)C#C
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50588566
PNG
(CHEMBL5209294)
Show SMILES ONC(=O)CCCCCCNC(=O)c1csc(n1)C#C
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
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 96n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50588568
PNG
(CHEMBL5186798)
Show SMILES ONC(=O)CCCCC\C=C\c1csc(n1)C#C
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50588567
PNG
(CHEMBL5181798)
Show SMILES ONC(=O)CCCCC\C=C/c1csc(n1)C#C
PDB
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50588570
PNG
(CHEMBL5181479)
Show SMILES ONC(=O)\C=C\c1csc(n1)C#C
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50588564
PNG
(CHEMBL5206154)
Show SMILES ONC(=O)\C=C\C=C\c1csc(Br)n1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50588569
PNG
(CHEMBL5170140)
Show SMILES ONC(=O)\C=C\C=C\c1csc(n1)C#C
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50588563
PNG
(CHEMBL5174162)
Show SMILES ONC(=O)CCCCC\C=C\c1csc(Br)n1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50588565
PNG
(CHEMBL5204550)
Show SMILES ONC(=O)\C=C\c1csc(Br)n1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50588560
PNG
(CHEMBL5172507)
Show SMILES ONC(=O)CCCCCCNC(=O)c1csc(Br)n1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50588567
PNG
(CHEMBL5181798)
Show SMILES ONC(=O)CCCCC\C=C/c1csc(n1)C#C
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50588568
PNG
(CHEMBL5186798)
Show SMILES ONC(=O)CCCCC\C=C\c1csc(n1)C#C
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50588561
PNG
(CHEMBL5193020)
Show SMILES ONC(=O)CCCCC\C=C/c1csc(Br)n1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50588567
PNG
(CHEMBL5181798)
Show SMILES ONC(=O)CCCCC\C=C/c1csc(n1)C#C
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50588563
PNG
(CHEMBL5174162)
Show SMILES ONC(=O)CCCCC\C=C\c1csc(Br)n1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50588566
PNG
(CHEMBL5209294)
Show SMILES ONC(=O)CCCCCCNC(=O)c1csc(n1)C#C
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50588565
PNG
(CHEMBL5204550)
Show SMILES ONC(=O)\C=C\c1csc(Br)n1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
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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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50588563
PNG
(CHEMBL5174162)
Show SMILES ONC(=O)CCCCC\C=C\c1csc(Br)n1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50588561
PNG
(CHEMBL5193020)
Show SMILES ONC(=O)CCCCC\C=C/c1csc(Br)n1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50588567
PNG
(CHEMBL5181798)
Show SMILES ONC(=O)CCCCC\C=C/c1csc(n1)C#C
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Histone deacetylase 8


(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 543n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50588561
PNG
(CHEMBL5193020)
Show SMILES ONC(=O)CCCCC\C=C/c1csc(Br)n1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50109692
PNG
(3,4,5-Trihydroxy-benzoic acid 2-(3,4-dihydroxy-phe...)
Show SMILES Oc1ccc(CCOC(=O)c2cc(O)c(O)c(O)c2)cc1O
Show InChI InChI=1S/C15H14O7/c16-10-2-1-8(5-11(10)17)3-4-22-15(21)9-6-12(18)14(20)13(19)7-9/h1-2,5-7,16-20H,3-4H2
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University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using A17 double mutant HIV-1-RT enzyme

Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50588569
PNG
(CHEMBL5170140)
Show SMILES ONC(=O)\C=C\C=C\c1csc(n1)C#C
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01276
BindingDB Entry DOI: 10.7270/Q2C53QTB
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 730n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTP

Bioorg Med Chem Lett 11: 2763-7 (2001)


BindingDB Entry DOI: 10.7270/Q2X92BTR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50153015
PNG
((-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-ga...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1
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University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTP

Bioorg Med Chem Lett 11: 2763-7 (2001)


BindingDB Entry DOI: 10.7270/Q2X92BTR
More data for this
Ligand-Target Pair
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