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Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'yu' and Initial = 'cl'   
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))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116454
BindingDB Entry DOI: 10.7270/Q2XS6097
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 9.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant C-terminal FLAG/His-tagged human HDAC1 expressed in baculovirus infected Sf21 insect cells using RHK-K(Ac)-AMC ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116454
BindingDB Entry DOI: 10.7270/Q2XS6097
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 28.6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant C-terminal GST-fusion-tagged human HDAC2 expressed in insect cells using RHK-K(Ac)-AMC as substrate measured af...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116454
BindingDB Entry DOI: 10.7270/Q2XS6097
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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Article
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n/an/a 32.2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of VEGFR2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116454
BindingDB Entry DOI: 10.7270/Q2XS6097
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 112n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of VEGFR2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116454
BindingDB Entry DOI: 10.7270/Q2XS6097
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50587265
PNG
(CHEMBL5087583)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1
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n/an/a 166n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116454
BindingDB Entry DOI: 10.7270/Q2XS6097
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50587266
PNG
(CHEMBL5086690)
Show SMILES ONC(=O)c1ccc(CN2CCc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc23)cc1
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n/an/a 250n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116454
BindingDB Entry DOI: 10.7270/Q2XS6097
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 697n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant C-terminal His-fusion tagged/N-terminal Strep2 tagged human HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116454
BindingDB Entry DOI: 10.7270/Q2XS6097
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50587267
PNG
(CHEMBL5078716)
Show SMILES ONC(=O)c1ccc(cc1)N1CCc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc12
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n/an/a 825n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116454
BindingDB Entry DOI: 10.7270/Q2XS6097
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50587269
PNG
(CHEMBL5078715)
Show SMILES ONC(=O)\C=C\c1ccc(CN2CCc3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc23)cc1
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n/an/a 1.14E+3n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116454
BindingDB Entry DOI: 10.7270/Q2XS6097
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50587268
PNG
(CHEMBL5087770)
Show SMILES ONC(=O)c1ccc(cc1)N1CCCc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc12
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116454
BindingDB Entry DOI: 10.7270/Q2XS6097
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50587266
PNG
(CHEMBL5086690)
Show SMILES ONC(=O)c1ccc(CN2CCc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc23)cc1
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n/an/a 1.71E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant C-terminal His-fusion tagged/N-terminal Strep2 tagged human HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116454
BindingDB Entry DOI: 10.7270/Q2XS6097
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50587265
PNG
(CHEMBL5087583)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1
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n/an/a 1.99E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant C-terminal His-fusion tagged/N-terminal Strep2 tagged human HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116454
BindingDB Entry DOI: 10.7270/Q2XS6097
More data for this
Ligand-Target Pair
Glutamate receptor 3


(Homo sapiens (Human))
BDBM50184410
PNG
(CHEBI:71013 | E-2007 | E2007 | ER-155055-90 | Fyco...)
Show SMILES O=c1c(cc(cn1-c1ccccc1)-c1ccccn1)-c1ccccc1C#N
Show InChI InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50587265
PNG
(CHEMBL5087583)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1
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n/an/a 7.23E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant C-terminal FLAG/His-tagged human HDAC1 expressed in baculovirus infected Sf21 insect cells using RHK-K(Ac)-AMC ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116454
BindingDB Entry DOI: 10.7270/Q2XS6097
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50587265
PNG
(CHEMBL5087583)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1
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n/an/a 1.32E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of VEGFR2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116454
BindingDB Entry DOI: 10.7270/Q2XS6097
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50587268
PNG
(CHEMBL5087770)
Show SMILES ONC(=O)c1ccc(cc1)N1CCCc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc12
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n/an/a 1.32E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of VEGFR2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116454
BindingDB Entry DOI: 10.7270/Q2XS6097
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50587265
PNG
(CHEMBL5087583)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant C-terminal GST-fusion-tagged human HDAC2 expressed in insect cells using RHK-K(Ac)-AMC as substrate measured af...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116454
BindingDB Entry DOI: 10.7270/Q2XS6097
More data for this
Ligand-Target Pair