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Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'liang' and Initial = 'ly'   
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


(Homo sapiens (Human))
BDBM50056985
PNG
(CHEMBL3329991)
Show SMILES Cc1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C20H21N3O4S/c1-14-17(18-4-2-3-5-19(18)22-14)12-13-21-28(26,27)16-9-6-15(7-10-16)8-11-20(24)23-25/h2-11,21-22,25H,12-13H2,1H3,(H,23,24)/b11-8+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay


Eur J Med Chem 85: 468-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50056984
PNG
(CHEMBL3329990)
Show SMILES Cc1c(CCNS(=O)(=O)c2ccc(\C=C\C(=O)NO)cc2)c2ccccc2n1C
Show InChI InChI=1S/C21H23N3O4S/c1-15-18(19-5-3-4-6-20(19)24(15)2)13-14-22-29(27,28)17-10-7-16(8-11-17)9-12-21(25)23-26/h3-12,22,26H,13-14H2,1-2H3,(H,23,25)/b12-9+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay


Eur J Med Chem 85: 468-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50056983
PNG
(CHEMBL3329992)
Show SMILES CCn1c(C)c(CCNS(=O)(=O)c2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
Show InChI InChI=1S/C22H25N3O4S/c1-3-25-16(2)19(20-6-4-5-7-21(20)25)14-15-23-30(28,29)18-11-8-17(9-12-18)10-13-22(26)24-27/h4-13,23,27H,3,14-15H2,1-2H3,(H,24,26)/b13-10+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay


Eur J Med Chem 85: 468-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50056975
PNG
(CHEMBL3329999)
Show SMILES Cn1cc(CCNS(=O)(=O)c2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
Show InChI InChI=1S/C20H21N3O4S/c1-23-14-16(18-4-2-3-5-19(18)23)12-13-21-28(26,27)17-9-6-15(7-10-17)8-11-20(24)22-25/h2-11,14,21,25H,12-13H2,1H3,(H,22,24)/b11-8+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.70n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay


Eur J Med Chem 85: 468-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50056974
PNG
(CHEMBL3329998)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C19H19N3O4S/c23-19(22-24)10-7-14-5-8-16(9-6-14)27(25,26)21-12-11-15-13-20-18-4-2-1-3-17(15)18/h1-10,13,20-21,24H,11-12H2,(H,22,23)/b10-7+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.60n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay


Eur J Med Chem 85: 468-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50056982
PNG
(CHEMBL3329994)
Show SMILES CCN(CC)CCn1c(C)c(CCNS(=O)(=O)c2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
Show InChI InChI=1S/C26H34N4O4S/c1-4-29(5-2)18-19-30-20(3)23(24-8-6-7-9-25(24)30)16-17-27-35(33,34)22-13-10-21(11-14-22)12-15-26(31)28-32/h6-15,27,32H,4-5,16-19H2,1-3H3,(H,28,31)/b15-12+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.30n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay


Eur J Med Chem 85: 468-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50056978
PNG
(CHEMBL3330002)
Show SMILES Cl.Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\CNO)cc1
Show InChI InChI=1S/C21H25N3O/c1-16-19(20-6-2-3-7-21(20)24-16)12-14-22-15-18-10-8-17(9-11-18)5-4-13-23-25/h2-11,22-25H,12-15H2,1H3/b5-4+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay


Eur J Med Chem 85: 468-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50056986
PNG
(CHEMBL3329993)
Show SMILES Cc1[nH]c2ccccc2c1CCNS(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C20H21N3O4S/c1-14-17(18-7-2-3-8-19(18)22-14)11-12-21-28(26,27)16-6-4-5-15(13-16)9-10-20(24)23-25/h2-10,13,21-22,25H,11-12H2,1H3,(H,23,24)/b10-9+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay


Eur J Med Chem 85: 468-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50056979
PNG
(CHEMBL3329997)
Show SMILES CC(C)N(CCc1c(C)[nH]c2ccccc12)S(=O)(=O)c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C23H27N3O4S/c1-16(2)26(15-14-20-17(3)24-22-7-5-4-6-21(20)22)31(29,30)19-11-8-18(9-12-19)10-13-23(27)25-28/h4-13,16,24,28H,14-15H2,1-3H3,(H,25,27)/b13-10+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.20n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay


Eur J Med Chem 85: 468-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM25150
PNG
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay


Eur J Med Chem 85: 468-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50056980
PNG
(CHEMBL3329996)
Show SMILES CCN(CCc1c(C)[nH]c2ccccc12)S(=O)(=O)c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C22H25N3O4S/c1-3-25(15-14-19-16(2)23-21-7-5-4-6-20(19)21)30(28,29)18-11-8-17(9-12-18)10-13-22(26)24-27/h4-13,23,27H,3,14-15H2,1-2H3,(H,24,26)/b13-10+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay


Eur J Med Chem 85: 468-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50056976
PNG
(CHEMBL3330000)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)S(=O)(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C20H19N3O4S/c24-20(22-25)10-7-14-5-8-15(9-6-14)28(26,27)23-12-11-17-16-3-1-2-4-18(16)21-19(17)13-23/h1-10,21,25H,11-13H2,(H,22,24)/b10-7+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay


Eur J Med Chem 85: 468-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50056981
PNG
(CHEMBL3329995)
Show SMILES CN(CCc1c(C)[nH]c2ccccc12)S(=O)(=O)c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O4S/c1-15-18(19-5-3-4-6-20(19)22-15)13-14-24(2)29(27,28)17-10-7-16(8-11-17)9-12-21(25)23-26/h3-12,22,26H,13-14H2,1-2H3,(H,23,25)/b12-9+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 47n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay


Eur J Med Chem 85: 468-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50056977
PNG
(CHEMBL3330001)
Show SMILES Cc1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C18H19N3O4S/c1-12-15(16-4-2-3-5-17(16)20-12)10-11-19-26(24,25)14-8-6-13(7-9-14)18(22)21-23/h2-9,19-20,23H,10-11H2,1H3,(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 772n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay


Eur J Med Chem 85: 468-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ
More data for this
Ligand-Target Pair