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Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'gertzen' and Initial = 'cgw'   
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 1/6


(Homo sapiens (Human))
BDBM50239858
PNG
(CHEMBL4067006)
Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2nc(OC)cc(C)c2c1
PDB
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n/an/a 2.80n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
BindingDB Entry DOI: 10.7270/Q2R49SWD
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50239857
PNG
(CHEMBL4070745)
Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2ncccc2c1
PDB
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n/an/a 6.10n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
BindingDB Entry DOI: 10.7270/Q2R49SWD
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50239824
PNG
(CHEMBL4069631)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
PDB

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n/an/a 6.5n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity towards nicotinic acetylcholine receptor


J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 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



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50239822
PNG
(CHEMBL4080343)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)Nc1ccc(C)cc1
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n/an/a 16n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50239832
PNG
(CHEMBL4090647)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
PDB
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n/an/a 25n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50239824
PNG
(CHEMBL4069631)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
PDB
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n/an/a 25n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50239859
PNG
(CHEMBL4088276)
Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2nccc(C)c2c1
PDB
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n/an/a 25n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
BindingDB Entry DOI: 10.7270/Q2R49SWD
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50239832
PNG
(CHEMBL4090647)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
PDB

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n/an/a 26n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50239819
PNG
(CHEMBL4095934)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC1CCCCC1
PDB
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n/an/a 27n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50239858
PNG
(CHEMBL4067006)
Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2nc(OC)cc(C)c2c1
PDB
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n/an/a 43n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
BindingDB Entry DOI: 10.7270/Q2R49SWD
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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n/an/a 45n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
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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n/an/a 45n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
BindingDB Entry DOI: 10.7270/Q2R49SWD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50239857
PNG
(CHEMBL4070745)
Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2ncccc2c1
PDB
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n/an/a 52n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
BindingDB Entry DOI: 10.7270/Q2R49SWD
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50239856
PNG
(CHEMBL2311793)
Show SMILES ONC(=O)CCCCCONC(=O)Nc1cnc2ccccc2c1
PDB
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n/an/a 52n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
BindingDB Entry DOI: 10.7270/Q2R49SWD
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50239819
PNG
(CHEMBL4095934)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC1CCCCC1
PDB

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n/an/a 60n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50239832
PNG
(CHEMBL4090647)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
PDB
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n/an/a 61n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50239824
PNG
(CHEMBL4069631)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
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n/an/a 66n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50239859
PNG
(CHEMBL4088276)
Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2nccc(C)c2c1
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n/an/a 77n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
BindingDB Entry DOI: 10.7270/Q2R49SWD
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50239819
PNG
(CHEMBL4095934)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC1CCCCC1
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n/an/a 84n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of eel acetylcholinesterase (AChE) activity by 50%


J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50239822
PNG
(CHEMBL4080343)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)Nc1ccc(C)cc1
PDB
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n/an/a 96n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50239822
PNG
(CHEMBL4080343)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)Nc1ccc(C)cc1
PDB
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n/an/a 106n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(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 108n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(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 108n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
BindingDB Entry DOI: 10.7270/Q2R49SWD
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50239832
PNG
(CHEMBL4090647)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
PDB
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n/an/a 135n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50239822
PNG
(CHEMBL4080343)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)Nc1ccc(C)cc1
PDB
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n/an/a 146n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity towards Nicotinic acetylcholine receptor


J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50239856
PNG
(CHEMBL2311793)
Show SMILES ONC(=O)CCCCCONC(=O)Nc1cnc2ccccc2c1
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n/an/a 189n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
BindingDB Entry DOI: 10.7270/Q2R49SWD
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 200n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50239819
PNG
(CHEMBL4095934)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC1CCCCC1
PDB
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n/an/a 214n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239824
PNG
(CHEMBL4069631)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
PDB

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n/an/a 270n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50239824
PNG
(CHEMBL4069631)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
PDB
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n/an/a 281n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239824
PNG
(CHEMBL4069631)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
PDB

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n/an/a 320n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239824
PNG
(CHEMBL4069631)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
PDB

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n/an/a 350n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239832
PNG
(CHEMBL4090647)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
PDB

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n/an/a 350n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239832
PNG
(CHEMBL4090647)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
PDB

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n/an/a 370n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239822
PNG
(CHEMBL4080343)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)Nc1ccc(C)cc1
PDB

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n/an/a 370n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239832
PNG
(CHEMBL4090647)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
PDB

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n/an/a 410n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50239860
PNG
(CHEMBL4081343)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NCC1(CCOCC1)c1cnc(s1)-c1ccccc1
PDB
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n/an/a 447n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
BindingDB Entry DOI: 10.7270/Q2R49SWD
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239824
PNG
(CHEMBL4069631)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
PDB

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n/an/a 480n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239822
PNG
(CHEMBL4080343)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)Nc1ccc(C)cc1
PDB

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n/an/a 490n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239818
PNG
(CHEMBL4095157)
Show SMILES ONC(=O)CCCCCN(CC(=O)NC1CCCCC1)C(=O)c1cccc2ccccc12
PDB

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n/an/a 600n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity towards Nicotinic acetylcholine receptor


J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239832
PNG
(CHEMBL4090647)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
PDB

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n/an/a 630n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239819
PNG
(CHEMBL4095934)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC1CCCCC1
PDB

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n/an/a 640n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239822
PNG
(CHEMBL4080343)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)Nc1ccc(C)cc1
PDB

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n/an/a 660n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239822
PNG
(CHEMBL4080343)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)Nc1ccc(C)cc1
PDB

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n/an/a 680n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239819
PNG
(CHEMBL4095934)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC1CCCCC1
PDB

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n/an/a 710n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239818
PNG
(CHEMBL4095157)
Show SMILES ONC(=O)CCCCCN(CC(=O)NC1CCCCC1)C(=O)c1cccc2ccccc12
PDB

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n/an/a 750n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239823
PNG
(CHEMBL4098365)
Show SMILES Cc1ccc(NC(=O)CN(CCCCCC(=O)NO)C(=O)c2cc(C)cc(C)c2)cc1
PDB

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n/an/a 800n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239831
PNG
(CHEMBL4059953)
Show SMILES CCCCNC(=O)CN(CCCCCC(=O)NO)C(=O)c1ccc(cc1)N(C)C
PDB

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n/an/a 800n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239823
PNG
(CHEMBL4098365)
Show SMILES Cc1ccc(NC(=O)CN(CCCCCC(=O)NO)C(=O)c2cc(C)cc(C)c2)cc1
PDB

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n/an/a 810n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
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