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Compile Data Set for Download or QSAR

Found 157 hits with Last Name = 'shiao' and Initial = 'yj'   
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
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 4n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 16: 4440-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.036
BindingDB Entry DOI: 10.7270/Q2ZS2W33
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 5n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of COX1 assessed as TBX2 production in human whole blood


Bioorg Med Chem Lett 16: 4440-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.036
BindingDB Entry DOI: 10.7270/Q2ZS2W33
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

Assay Description
Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using fluor de lys SIRT1 as substr...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50551540
PNG
(CHEMBL4762873)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(Ac)-AMC as s...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50551544
PNG
(CHEMBL4796066)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(Br)cc23)cc1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(Ac)-AMC as s...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50551543
PNG
(CHEMBL4757035)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(F)cc23)cc1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(Ac)-AMC as s...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50551539
PNG
(CHEMBL4751082)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(OC(F)(F)F)cc23)cc1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(Ac)-AMC as s...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
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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TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/8


(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 34n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of class 1 HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate additi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 36n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as LPS-stimulated PGE2 production in human whole blood leukocyte


Bioorg Med Chem Lett 16: 4440-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.036
BindingDB Entry DOI: 10.7270/Q2ZS2W33
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50551535
PNG
(CHEMBL4752558)
Show SMILES ONC(=O)c1ccc(Nc2ccnc3ccccc23)cc1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(Ac)-AMC as s...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50551541
PNG
(CHEMBL4757768)
Show SMILES ONC(=O)Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(Ac)-AMC as s...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
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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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(Ac)-AMC as s...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50551544
PNG
(CHEMBL4796066)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(Br)cc23)cc1
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TBA

Assay Description
Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using fluor de lys SIRT1 as substr...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
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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TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged HDAC2 (1 to 488 residues) expressed in Sf9 insect cells using fluor de lys SIRT1 as substrate p...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1/2/3/8


(Homo sapiens (Human))
BDBM50462732
PNG
(CHEMBL4248676)
Show SMILES ONC(=O)CCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
Show InChI InChI=1S/C22H19N3O2/c26-21(25-27)14-11-15-9-12-16(13-10-15)23-22-17-5-1-3-7-19(17)24-20-8-4-2-6-18(20)22/h1-10,12-13,27H,11,14H2,(H,23,24)(H,25,26)
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TBA

Assay Description
Inhibition of class 1 HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate additi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50462732
PNG
(CHEMBL4248676)
Show SMILES ONC(=O)CCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
Show InChI InChI=1S/C22H19N3O2/c26-21(25-27)14-11-15-9-12-16(13-10-15)23-22-17-5-1-3-7-19(17)24-20-8-4-2-6-18(20)22/h1-10,12-13,27H,11,14H2,(H,23,24)(H,25,26)
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(Ac)-AMC as s...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50551537
PNG
(CHEMBL4753795)
Show SMILES COc1cc2nc3ccccc3c(Nc3ccc(cc3)C(=O)NO)c2c(OC)c1OC
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(Ac)-AMC as s...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/8


(Homo sapiens (Human))
BDBM50551544
PNG
(CHEMBL4796066)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(Br)cc23)cc1
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TBA

Assay Description
Inhibition of class 1 HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate additi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50551538
PNG
(CHEMBL4761847)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(OCc4ccccc4)cc23)cc1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(Ac)-AMC as s...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/8


(Homo sapiens (Human))
BDBM50551543
PNG
(CHEMBL4757035)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(F)cc23)cc1
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TBA

Assay Description
Inhibition of class 1 HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate additi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50551544
PNG
(CHEMBL4796066)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(Br)cc23)cc1
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TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 330n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as LPS-stimulated PGE2 production in human whole blood leukocyte


Bioorg Med Chem Lett 16: 4440-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.036
BindingDB Entry DOI: 10.7270/Q2ZS2W33
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50551536
PNG
(CHEMBL4750838)
Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(cc3)C(=O)NO)c2n1
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TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(Ac)-AMC as s...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50551540
PNG
(CHEMBL4762873)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
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TBA

Assay Description
Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using fluor de lys SIRT1 as substr...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 340n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 16: 4440-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.036
BindingDB Entry DOI: 10.7270/Q2ZS2W33
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a 380n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 16: 4440-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.036
BindingDB Entry DOI: 10.7270/Q2ZS2W33
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50551538
PNG
(CHEMBL4761847)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(OCc4ccccc4)cc23)cc1
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TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged HDAC5 (656 to 1122 residues) expressed in baculovirus infected Sf9 insect cells using fluorogen...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 440n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 16: 4440-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.036
BindingDB Entry DOI: 10.7270/Q2ZS2W33
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50551544
PNG
(CHEMBL4796066)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(Br)cc23)cc1
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n/an/a 480n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged HDAC2 (1 to 488 residues) expressed in Sf9 insect cells using fluor de lys SIRT1 as substrate p...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50551543
PNG
(CHEMBL4757035)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(F)cc23)cc1
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TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged HDAC9 (604 to 1066 residues) expressed in baculovirus infected Sf9 cells using fluorogenic HDAC...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/8


(Homo sapiens (Human))
BDBM50551540
PNG
(CHEMBL4762873)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
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n/an/a 550n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of class 1 HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate additi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50551540
PNG
(CHEMBL4762873)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
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n/an/a 570n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged HDAC9 (604 to 1066 residues) expressed in baculovirus infected Sf9 cells using fluorogenic HDAC...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50551543
PNG
(CHEMBL4757035)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(F)cc23)cc1
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n/an/a 590n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus infected Sf9 cells using fluorogenic HDAC ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50551543
PNG
(CHEMBL4757035)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(F)cc23)cc1
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n/an/a 600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal 6His-tagged AChE (Glu32 to Leu614 residues) expressed in CHO cells using acetylthiocholine iodide as subst...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/8


(Homo sapiens (Human))
BDBM50551535
PNG
(CHEMBL4752558)
Show SMILES ONC(=O)c1ccc(Nc2ccnc3ccccc23)cc1
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n/an/a 600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of class 1 HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate additi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50551537
PNG
(CHEMBL4753795)
Show SMILES COc1cc2nc3ccccc3c(Nc3ccc(cc3)C(=O)NO)c2c(OC)c1OC
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n/an/a 640n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal 6His-tagged AChE (Glu32 to Leu614 residues) expressed in CHO cells using acetylthiocholine iodide as subst...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50551540
PNG
(CHEMBL4762873)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
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n/an/a 650n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus infected Sf9 cells using fluorogenic HDAC ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/8


(Homo sapiens (Human))
BDBM50551539
PNG
(CHEMBL4751082)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(OC(F)(F)F)cc23)cc1
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n/an/a 670n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of class 1 HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate additi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50551543
PNG
(CHEMBL4757035)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(F)cc23)cc1
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n/an/a 690n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged HDAC5 (656 to 1122 residues) expressed in baculovirus infected Sf9 insect cells using fluorogen...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50551540
PNG
(CHEMBL4762873)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
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n/an/a 720n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal 6His-tagged AChE (Glu32 to Leu614 residues) expressed in CHO cells using acetylthiocholine iodide as subst...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/8


(Homo sapiens (Human))
BDBM50551536
PNG
(CHEMBL4750838)
Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(cc3)C(=O)NO)c2n1
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n/an/a 800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of class 1 HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate additi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/8


(Homo sapiens (Human))
BDBM50551537
PNG
(CHEMBL4753795)
Show SMILES COc1cc2nc3ccccc3c(Nc3ccc(cc3)C(=O)NO)c2c(OC)c1OC
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n/an/a 810n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of class 1 HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate additi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50551535
PNG
(CHEMBL4752558)
Show SMILES ONC(=O)c1ccc(Nc2ccnc3ccccc23)cc1
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n/an/a 830n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal 6His-tagged AChE (Glu32 to Leu614 residues) expressed in CHO cells using acetylthiocholine iodide as subst...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50551540
PNG
(CHEMBL4762873)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
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n/an/a 850n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged HDAC5 (656 to 1122 residues) expressed in baculovirus infected Sf9 insect cells using fluorogen...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50551544
PNG
(CHEMBL4796066)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(Br)cc23)cc1
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n/an/a 880n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal 6His-tagged AChE (Glu32 to Leu614 residues) expressed in CHO cells using acetylthiocholine iodide as subst...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50551544
PNG
(CHEMBL4796066)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(Br)cc23)cc1
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of amyloid beta (1 to 42) (unknown origin) self aggregation after 24 hrs by thioflavin-T fluorescence method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50551538
PNG
(CHEMBL4761847)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(OCc4ccccc4)cc23)cc1
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n/an/a 1.21E+3n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50551540
PNG
(CHEMBL4762873)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
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n/an/a 1.22E+3n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50551538
PNG
(CHEMBL4761847)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(OCc4ccccc4)cc23)cc1
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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.25E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His-tagged HDAC9 (604 to 1066 residues) expressed in baculovirus infected Sf9 cells using fluorogenic HDAC...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112193
BindingDB Entry DOI: 10.7270/Q2FX7F3B
More data for this
Ligand-Target Pair
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