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Compile Data Set for Download or QSAR

Found 250 hits with Last Name = 'liou' and Initial = 'jp'   
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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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38n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against mu opioid receptor was determined in brain membrane preparations from male Hartley guinea-pigs


Bioorg Med Chem Lett 8: 1813-8 (1999)


BindingDB Entry DOI: 10.7270/Q2K073D5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50070946
PNG
(1',3'-dimethylspiro[2,3-dihydrobenzo[b]furan-3,4'-...)
Show SMILES CC1CN(C)CCC11COc2c1cccc2O
Show InChI InChI=1S/C14H19NO2/c1-10-8-15(2)7-6-14(10)9-17-13-11(14)4-3-5-12(13)16/h3-5,10,16H,6-9H2,1-2H3
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54n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1813-8 (1999)


BindingDB Entry DOI: 10.7270/Q2K073D5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50070947
PNG
(2-ethyl-1'-methylspiro[2,3-dihydrobenzo[b]furan-3,...)
Show SMILES CCC1Oc2c(cccc2O)C11CCN(C)CC1
Show InChI InChI=1S/C15H21NO2/c1-3-13-15(7-9-16(2)10-8-15)11-5-4-6-12(17)14(11)18-13/h4-6,13,17H,3,7-10H2,1-2H3
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102n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against mu opioid receptor was determined in brain membrane preparations from male Hartley guinea-pigs


Bioorg Med Chem Lett 8: 1813-8 (1999)


BindingDB Entry DOI: 10.7270/Q2K073D5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50070948
PNG
(1',2-dimethylspiro[2,3-dihydrobenzo[b]furan-3,4'-(...)
Show SMILES CC1Oc2c(cccc2O)C11CCN(C)CC1
Show InChI InChI=1S/C14H19NO2/c1-10-14(6-8-15(2)9-7-14)11-4-3-5-12(16)13(11)17-10/h3-5,10,16H,6-9H2,1-2H3
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124n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against mu opioid receptor was determined in brain membrane preparations from male Hartley guinea-pigs


Bioorg Med Chem Lett 8: 1813-8 (1999)


BindingDB Entry DOI: 10.7270/Q2K073D5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50070946
PNG
(1',3'-dimethylspiro[2,3-dihydrobenzo[b]furan-3,4'-...)
Show SMILES CC1CN(C)CCC11COc2c1cccc2O
Show InChI InChI=1S/C14H19NO2/c1-10-8-15(2)7-6-14(10)9-17-13-11(14)4-3-5-12(13)16/h3-5,10,16H,6-9H2,1-2H3
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177n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1813-8 (1999)


BindingDB Entry DOI: 10.7270/Q2K073D5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50026752
PNG
(1-Methyl-4-phenyl-piperidine-4-carboxylic acid eth...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccccc1
Show InChI InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
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451n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against mu opioid receptor was determined in brain membrane preparations from male Hartley guinea-pigs


Bioorg Med Chem Lett 8: 1813-8 (1999)


BindingDB Entry DOI: 10.7270/Q2K073D5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50070946
PNG
(1',3'-dimethylspiro[2,3-dihydrobenzo[b]furan-3,4'-...)
Show SMILES CC1CN(C)CCC11COc2c1cccc2O
Show InChI InChI=1S/C14H19NO2/c1-10-8-15(2)7-6-14(10)9-17-13-11(14)4-3-5-12(13)16/h3-5,10,16H,6-9H2,1-2H3
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505n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Opioid receptor kappa 1 was determined in brain membrane preparations from male Hartley guinea-pigs


Bioorg Med Chem Lett 8: 1813-8 (1999)


BindingDB Entry DOI: 10.7270/Q2K073D5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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510n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Opioid receptor delta 1 was determined in brain membrane preparations from male Hartley guinea-pigs


Bioorg Med Chem Lett 8: 1813-8 (1999)


BindingDB Entry DOI: 10.7270/Q2K073D5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50070947
PNG
(2-ethyl-1'-methylspiro[2,3-dihydrobenzo[b]furan-3,...)
Show SMILES CCC1Oc2c(cccc2O)C11CCN(C)CC1
Show InChI InChI=1S/C15H21NO2/c1-3-13-15(7-9-16(2)10-8-15)11-5-4-6-12(17)14(11)18-13/h4-6,13,17H,3,7-10H2,1-2H3
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853n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Opioid receptor delta 1 was determined in brain membrane preparations from male Hartley guinea-pigs


Bioorg Med Chem Lett 8: 1813-8 (1999)


BindingDB Entry DOI: 10.7270/Q2K073D5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50070946
PNG
(1',3'-dimethylspiro[2,3-dihydrobenzo[b]furan-3,4'-...)
Show SMILES CC1CN(C)CCC11COc2c1cccc2O
Show InChI InChI=1S/C14H19NO2/c1-10-8-15(2)7-6-14(10)9-17-13-11(14)4-3-5-12(13)16/h3-5,10,16H,6-9H2,1-2H3
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1.02E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against mu opioid receptor was determined in brain membrane preparations from male Hartley guinea-pigs


Bioorg Med Chem Lett 8: 1813-8 (1999)


BindingDB Entry DOI: 10.7270/Q2K073D5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50070949
PNG
(1'-methylspiro[2,3-dihydrobenzo[b]furan-3,4'-(hexa...)
Show SMILES CN1CCC2(COc3c2cccc3O)CC1
Show InChI InChI=1S/C13H17NO2/c1-14-7-5-13(6-8-14)9-16-12-10(13)3-2-4-11(12)15/h2-4,15H,5-9H2,1H3
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1.65E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against mu opioid receptor was determined in brain membrane preparations from male Hartley guinea-pigs


Bioorg Med Chem Lett 8: 1813-8 (1999)


BindingDB Entry DOI: 10.7270/Q2K073D5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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1.87E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Opioid receptor kappa 1 was determined in brain membrane preparations from male Hartley guinea-pigs


Bioorg Med Chem Lett 8: 1813-8 (1999)


BindingDB Entry DOI: 10.7270/Q2K073D5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50070948
PNG
(1',2-dimethylspiro[2,3-dihydrobenzo[b]furan-3,4'-(...)
Show SMILES CC1Oc2c(cccc2O)C11CCN(C)CC1
Show InChI InChI=1S/C14H19NO2/c1-10-14(6-8-15(2)9-7-14)11-4-3-5-12(16)13(11)17-10/h3-5,10,16H,6-9H2,1-2H3
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2.41E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Opioid receptor delta 1 was determined in brain membrane preparations from male Hartley guinea-pigs


Bioorg Med Chem Lett 8: 1813-8 (1999)


BindingDB Entry DOI: 10.7270/Q2K073D5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50070948
PNG
(1',2-dimethylspiro[2,3-dihydrobenzo[b]furan-3,4'-(...)
Show SMILES CC1Oc2c(cccc2O)C11CCN(C)CC1
Show InChI InChI=1S/C14H19NO2/c1-10-14(6-8-15(2)9-7-14)11-4-3-5-12(16)13(11)17-10/h3-5,10,16H,6-9H2,1-2H3
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>1.00E+5n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Opioid receptor kappa 1 was determined in brain membrane preparations from male Hartley guinea-pigs


Bioorg Med Chem Lett 8: 1813-8 (1999)


BindingDB Entry DOI: 10.7270/Q2K073D5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50026752
PNG
(1-Methyl-4-phenyl-piperidine-4-carboxylic acid eth...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccccc1
Show InChI InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
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>1.00E+5n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Opioid receptor kappa 1 was determined in brain membrane preparations from male Hartley guinea-pigs


Bioorg Med Chem Lett 8: 1813-8 (1999)


BindingDB Entry DOI: 10.7270/Q2K073D5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50070947
PNG
(2-ethyl-1'-methylspiro[2,3-dihydrobenzo[b]furan-3,...)
Show SMILES CCC1Oc2c(cccc2O)C11CCN(C)CC1
Show InChI InChI=1S/C15H21NO2/c1-3-13-15(7-9-16(2)10-8-15)11-5-4-6-12(17)14(11)18-13/h4-6,13,17H,3,7-10H2,1-2H3
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>1.00E+5n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Opioid receptor kappa 1 was determined in brain membrane preparations from male Hartley guinea-pigs


Bioorg Med Chem Lett 8: 1813-8 (1999)


BindingDB Entry DOI: 10.7270/Q2K073D5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50070949
PNG
(1'-methylspiro[2,3-dihydrobenzo[b]furan-3,4'-(hexa...)
Show SMILES CN1CCC2(COc3c2cccc3O)CC1
Show InChI InChI=1S/C13H17NO2/c1-14-7-5-13(6-8-14)9-16-12-10(13)3-2-4-11(12)15/h2-4,15H,5-9H2,1H3
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>1.00E+5n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Opioid receptor delta 1 was determined in brain membrane preparations from male Hartley guinea-pigs


Bioorg Med Chem Lett 8: 1813-8 (1999)


BindingDB Entry DOI: 10.7270/Q2K073D5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50070949
PNG
(1'-methylspiro[2,3-dihydrobenzo[b]furan-3,4'-(hexa...)
Show SMILES CN1CCC2(COc3c2cccc3O)CC1
Show InChI InChI=1S/C13H17NO2/c1-14-7-5-13(6-8-14)9-16-12-10(13)3-2-4-11(12)15/h2-4,15H,5-9H2,1H3
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>1.00E+5n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Opioid receptor kappa 1 was determined in brain membrane preparations from male Hartley guinea-pigs


Bioorg Med Chem Lett 8: 1813-8 (1999)


BindingDB Entry DOI: 10.7270/Q2K073D5
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50245492
PNG
(CHEMBL4082554)
PDB
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n/an/a 0.100n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




J Med Chem 60: 527-553 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00935
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50241905
PNG
(CHEMBL4080164)
PDB
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n/an/a 0.180n/an/an/an/an/an/a



Taipei Medical University (TMU)

Curated by ChEMBL




Eur J Med Chem 134: 13-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.079
BindingDB Entry DOI: 10.7270/Q2154K5F
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50247556
PNG
(CHEMBL4104117)
PDB
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n/an/a 0.291n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




J Med Chem 61: 905-917 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50241901
PNG
(CHEMBL4065026)
PDB
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n/an/a 0.530n/an/an/an/an/an/a



Taipei Medical University (TMU)

Curated by ChEMBL




Eur J Med Chem 134: 13-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.079
BindingDB Entry DOI: 10.7270/Q2154K5F
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50236621
PNG
(CHEMBL4078142)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)c2ccccc2n1 |r|
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n/an/a 0.600n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




J Med Chem 60: 527-553 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00935
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50245498
PNG
(CHEMBL4083562)
PDB

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n/an/a 0.700n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




J Med Chem 60: 527-553 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00935
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50247553
PNG
(CHEMBL4095667)
PDB
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n/an/a 0.795n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL




J Med Chem 61: 905-917 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50241906
PNG
(CHEMBL4069853)
PDB
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Taipei Medical University (TMU)

Curated by ChEMBL




Eur J Med Chem 134: 13-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.079
BindingDB Entry DOI: 10.7270/Q2154K5F
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232359
PNG
(CHEMBL4078822)
Show SMILES CN(C)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
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Taipei Medical University

Curated by ChEMBL




Eur J Med Chem 127: 115-127 (2017)


BindingDB Entry DOI: 10.7270/Q20K2BT4
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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Taipei Medical University

Curated by ChEMBL




Eur J Med Chem 127: 115-127 (2017)


BindingDB Entry DOI: 10.7270/Q20K2BT4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50386657
PNG
(CHEMBL2048746)
Show SMILES ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H14N2O4S/c20-17(18-21)9-7-13-6-8-16-14(12-13)10-11-19(16)24(22,23)15-4-2-1-3-5-15/h1-12,21H,(H,18,20)/b9-7+
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Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 after 30 mins by fluorometric assay


J Med Chem 55: 3777-91 (2012)


Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232358
PNG
(CHEMBL4096845)
Show SMILES CN(C)C(=O)c1cn(Cc2ccc(cc2)C(=O)NO)c2ccccc12
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Taipei Medical University

Curated by ChEMBL




Eur J Med Chem 127: 115-127 (2017)


BindingDB Entry DOI: 10.7270/Q20K2BT4
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232351
PNG
(CHEMBL4100664)
Show SMILES CN(C)Cc1c(C)n(Cc2ccc(cc2)C(=O)NO)c2ccccc12
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Taipei Medical University

Curated by ChEMBL




Eur J Med Chem 127: 115-127 (2017)


BindingDB Entry DOI: 10.7270/Q20K2BT4
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232364
PNG
(CHEMBL4086671)
Show SMILES CN(C)C(=O)c1cn(Cc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
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Taipei Medical University

Curated by ChEMBL




Eur J Med Chem 127: 115-127 (2017)


BindingDB Entry DOI: 10.7270/Q20K2BT4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(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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Taipei Medical University

Curated by ChEMBL




Eur J Med Chem 127: 115-127 (2017)


BindingDB Entry DOI: 10.7270/Q20K2BT4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50241905
PNG
(CHEMBL4080164)
PDB
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Taipei Medical University (TMU)

Curated by ChEMBL




Eur J Med Chem 134: 13-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.079
BindingDB Entry DOI: 10.7270/Q2154K5F
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232363
PNG
(CHEMBL4102147)
Show SMILES CN(C)Cc1cn(Cc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
PDB
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Taipei Medical University

Curated by ChEMBL




Eur J Med Chem 127: 115-127 (2017)


BindingDB Entry DOI: 10.7270/Q20K2BT4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50232360
PNG
(CHEMBL4104572)
Show SMILES CN(C)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(\C=C\C(=O)NO)cc1
PDB
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Taipei Medical University

Curated by ChEMBL




Eur J Med Chem 127: 115-127 (2017)


BindingDB Entry DOI: 10.7270/Q20K2BT4
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232354
PNG
(CHEMBL4066920)
Show SMILES CN(C)Cc1cn(Cc2ccc(cc2)C(=O)NO)c2ccccc12
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Taipei Medical University

Curated by ChEMBL




Eur J Med Chem 127: 115-127 (2017)


BindingDB Entry DOI: 10.7270/Q20K2BT4
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232353
PNG
(CHEMBL4104052)
Show SMILES CN(C)Cc1c(C)n(c2ccccc12)S(=O)(=O)c1ccc(\C=C\C(=O)NO)cc1
PDB
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Taipei Medical University

Curated by ChEMBL




Eur J Med Chem 127: 115-127 (2017)


BindingDB Entry DOI: 10.7270/Q20K2BT4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50241906
PNG
(CHEMBL4069853)
PDB
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Taipei Medical University (TMU)

Curated by ChEMBL




Eur J Med Chem 134: 13-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.079
BindingDB Entry DOI: 10.7270/Q2154K5F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50241901
PNG
(CHEMBL4065026)
PDB
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Taipei Medical University (TMU)

Curated by ChEMBL




Eur J Med Chem 134: 13-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.079
BindingDB Entry DOI: 10.7270/Q2154K5F
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232352
PNG
(CHEMBL4073888)
Show SMILES CN(C)Cc1c(C)n(c2ccccc12)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
PDB
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Taipei Medical University

Curated by ChEMBL




Eur J Med Chem 127: 115-127 (2017)


BindingDB Entry DOI: 10.7270/Q20K2BT4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(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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Taipei Medical University

Curated by ChEMBL




Eur J Med Chem 127: 115-127 (2017)


BindingDB Entry DOI: 10.7270/Q20K2BT4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232356
PNG
(CHEMBL4094410)
Show SMILES CN(C)Cc1cn(c2ccccc12)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
PDB
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Taipei Medical University

Curated by ChEMBL




Eur J Med Chem 127: 115-127 (2017)


BindingDB Entry DOI: 10.7270/Q20K2BT4
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232360
PNG
(CHEMBL4104572)
Show SMILES CN(C)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(\C=C\C(=O)NO)cc1
PDB
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Taipei Medical University

Curated by ChEMBL




Eur J Med Chem 127: 115-127 (2017)


BindingDB Entry DOI: 10.7270/Q20K2BT4
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232356
PNG
(CHEMBL4094410)
Show SMILES CN(C)Cc1cn(c2ccccc12)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
PDB
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Taipei Medical University

Curated by ChEMBL




Eur J Med Chem 127: 115-127 (2017)


BindingDB Entry DOI: 10.7270/Q20K2BT4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232361
PNG
(CHEMBL4084222)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(\C=C\C(=O)NO)cc1
PDB
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Taipei Medical University

Curated by ChEMBL




Eur J Med Chem 127: 115-127 (2017)


BindingDB Entry DOI: 10.7270/Q20K2BT4
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)


Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50232357
PNG
(CHEMBL4077893)
Show SMILES CN(C)Cc1cn(c2ccccc12)S(=O)(=O)c1ccc(\C=C\C(=O)NO)cc1
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Taipei Medical University

Curated by ChEMBL




Eur J Med Chem 127: 115-127 (2017)


BindingDB Entry DOI: 10.7270/Q20K2BT4
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232361
PNG
(CHEMBL4084222)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(\C=C\C(=O)NO)cc1
PDB
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Taipei Medical University

Curated by ChEMBL




Eur J Med Chem 127: 115-127 (2017)


BindingDB Entry DOI: 10.7270/Q20K2BT4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50232350
PNG
(CHEMBL4062520)
Show SMILES CN1CCc2c(C1)c1ccccc1n2S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
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Taipei Medical University

Curated by ChEMBL




Eur J Med Chem 127: 115-127 (2017)


BindingDB Entry DOI: 10.7270/Q20K2BT4
More data for this
Ligand-Target Pair
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