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PubMed code 26613635

Compile data set for download or QSAR
Found 23 hits of Enzyme Inhibition Constant Data   
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
Estrogen receptor


(Homo sapiens (Human))		BDBM50180684
PNG
(4-OHT | Afimoxifene | TamoGel)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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n/an/a 10n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha in human T47D-KBLuc cells assessed as inhibition of E2-induced transcriptional activity by luciferase reporter gene as...

Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50499401
PNG
(CHEMBL3735770)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](SCCCCCC(=O)Nc3cccc(c3)C(=O)N(O)CCCC)[C@@]21[H] |r|
Show InChI InChI=1S/C35H48N2O5S/c1-3-4-18-37(42)34(41)23-9-8-10-25(20-23)36-32(40)11-6-5-7-19-43-30-22-24-21-26(38)12-13-27(24)28-16-17-35(2)29(33(28)30)14-15-31(35)39/h8-10,12-13,20-21,28-31,33,38-39,42H,3-7,11,14-19,22H2,1-2H3,(H,36,40)/t28-,29+,30-,31+,33-,35+/m1/s1
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McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at luciferase-fused ERalpha in human HEK293 cells expressing eYFP assessed as reduction of E2-induced estrogenic activity after 2...

Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50471252
PNG
(CHEMBL1222035 | ICI-164384)
Show SMILES [H][C@]1(O)CC[C@@]2([H])[C@]3([H])[C@H](CCCCCCCCCCC(=O)N(C)CCCC)Cc4cc(O)ccc4[C@@]3([H])CC[C@]12C
Show InChI InChI=1S/C34H55NO3/c1-4-5-22-35(3)32(38)15-13-11-9-7-6-8-10-12-14-25-23-26-24-27(36)16-17-28(26)29-20-21-34(2)30(33(25)29)18-19-31(34)37/h16-17,24-25,29-31,33,36-37H,4-15,18-23H2,1-3H3/t25-,29-,30+,31+,33-,34+/m1/s1
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McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha in human T47D-KBLuc cells assessed as inhibition of E2-induced transcriptional activity by luciferase reporter gene as...

Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50180684
PNG
(4-OHT | Afimoxifene | TamoGel)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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n/an/a 70n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at luciferase-fused ERalpha in human HEK293 cells expressing eYFP assessed as reduction of E2-induced estrogenic activity after 2...

Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
More data for this
Ligand-Target Pair
Histone deacetylase 3


(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 170n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC as substrate after 30 mins by fluorescence assay

Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50499401
PNG
(CHEMBL3735770)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](SCCCCCC(=O)Nc3cccc(c3)C(=O)N(O)CCCC)[C@@]21[H] |r|
Show InChI InChI=1S/C35H48N2O5S/c1-3-4-18-37(42)34(41)23-9-8-10-25(20-23)36-32(40)11-6-5-7-19-43-30-22-24-21-26(38)12-13-27(24)28-16-17-35(2)29(33(28)30)14-15-31(35)39/h8-10,12-13,20-21,28-31,33,38-39,42H,3-7,11,14-19,22H2,1-2H3,(H,36,40)/t28-,29+,30-,31+,33-,35+/m1/s1
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McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha in human T47D-KBLuc cells assessed as inhibition of E2-induced transcriptional activity by luciferase reporter gene as...

Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50499398
PNG
(CHEMBL3735995)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCCCC(=O)Nc3ccccc3N)[C@@]21[H] |r|
Show InChI InChI=1S/C35H50N2O3/c1-35-21-20-28-27-17-16-26(38)23-25(27)22-24(34(28)29(35)18-19-32(35)39)12-8-6-4-2-3-5-7-9-15-33(40)37-31-14-11-10-13-30(31)36/h10-11,13-14,16-17,23-24,28-29,32,34,38-39H,2-9,12,15,18-22,36H2,1H3,(H,37,40)/t24-,28-,29+,32+,34-,35+/m1/s1
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McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at luciferase-fused ERalpha in human HEK293 cells expressing eYFP assessed as reduction of E2-induced estrogenic activity after 2...

Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM19410
PNG
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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n/an/a 310n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC as substrate after 30 mins by fluorescence assay

Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50471252
PNG
(CHEMBL1222035 | ICI-164384)
Show SMILES [H][C@]1(O)CC[C@@]2([H])[C@]3([H])[C@H](CCCCCCCCCCC(=O)N(C)CCCC)Cc4cc(O)ccc4[C@@]3([H])CC[C@]12C
Show InChI InChI=1S/C34H55NO3/c1-4-5-22-35(3)32(38)15-13-11-9-7-6-8-10-12-14-25-23-26-24-27(36)16-17-28(26)29-20-21-34(2)30(33(25)29)18-19-31(34)37/h16-17,24-25,29-31,33,36-37H,4-15,18-23H2,1-3H3/t25-,29-,30+,31+,33-,34+/m1/s1
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McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at luciferase-fused ERalpha in human HEK293 cells expressing eYFP assessed as reduction of E2-induced estrogenic activity after 2...

Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
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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n/an/a 350n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using Boc-Lys(Ac)-AMC as substrate after 30 mins by fluorescence assay

Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50499400
PNG
(CHEMBL3735106)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCCCC(=O)NO)[C@@]21[H] |r|
Show InChI InChI=1S/C29H45NO4/c1-29-17-16-24-23-13-12-22(31)19-21(23)18-20(28(24)25(29)14-15-26(29)32)10-8-6-4-2-3-5-7-9-11-27(33)30-34/h12-13,19-20,24-26,28,31-32,34H,2-11,14-18H2,1H3,(H,30,33)/t20-,24-,25+,26+,28-,29+/m1/s1
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McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at luciferase-fused ERalpha in human HEK293 cells expressing eYFP assessed as reduction of E2-induced estrogenic activity after 2...

Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50499398
PNG
(CHEMBL3735995)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCCCC(=O)Nc3ccccc3N)[C@@]21[H] |r|
Show InChI InChI=1S/C35H50N2O3/c1-35-21-20-28-27-17-16-26(38)23-25(27)22-24(34(28)29(35)18-19-32(35)39)12-8-6-4-2-3-5-7-9-15-33(40)37-31-14-11-10-13-30(31)36/h10-11,13-14,16-17,23-24,28-29,32,34,38-39H,2-9,12,15,18-22,36H2,1H3,(H,37,40)/t24-,28-,29+,32+,34-,35+/m1/s1
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McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha in human T47D-KBLuc cells assessed as inhibition of E2-induced transcriptional activity by luciferase reporter gene as...

Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50499400
PNG
(CHEMBL3735106)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCCCC(=O)NO)[C@@]21[H] |r|
Show InChI InChI=1S/C29H45NO4/c1-29-17-16-24-23-13-12-22(31)19-21(23)18-20(28(24)25(29)14-15-26(29)32)10-8-6-4-2-3-5-7-9-11-27(33)30-34/h12-13,19-20,24-26,28,31-32,34H,2-11,14-18H2,1H3,(H,30,33)/t20-,24-,25+,26+,28-,29+/m1/s1
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n/an/a 960n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC as substrate after 30 mins by fluorescence assay

Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50499400
PNG
(CHEMBL3735106)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCCCC(=O)NO)[C@@]21[H] |r|
Show InChI InChI=1S/C29H45NO4/c1-29-17-16-24-23-13-12-22(31)19-21(23)18-20(28(24)25(29)14-15-26(29)32)10-8-6-4-2-3-5-7-9-11-27(33)30-34/h12-13,19-20,24-26,28,31-32,34H,2-11,14-18H2,1H3,(H,30,33)/t20-,24-,25+,26+,28-,29+/m1/s1
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n/an/a 1.06E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha in human T47D-KBLuc cells assessed as inhibition of E2-induced transcriptional activity by luciferase reporter gene as...

Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50499400
PNG
(CHEMBL3735106)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCCCC(=O)NO)[C@@]21[H] |r|
Show InChI InChI=1S/C29H45NO4/c1-29-17-16-24-23-13-12-22(31)19-21(23)18-20(28(24)25(29)14-15-26(29)32)10-8-6-4-2-3-5-7-9-11-27(33)30-34/h12-13,19-20,24-26,28,31-32,34H,2-11,14-18H2,1H3,(H,30,33)/t20-,24-,25+,26+,28-,29+/m1/s1
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n/an/a 1.15E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using Boc-Lys(Ac)-AMC as substrate after 30 mins by fluorescence assay

Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50499401
PNG
(CHEMBL3735770)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](SCCCCCC(=O)Nc3cccc(c3)C(=O)N(O)CCCC)[C@@]21[H] |r|
Show InChI InChI=1S/C35H48N2O5S/c1-3-4-18-37(42)34(41)23-9-8-10-25(20-23)36-32(40)11-6-5-7-19-43-30-22-24-21-26(38)12-13-27(24)28-16-17-35(2)29(33(28)30)14-15-31(35)39/h8-10,12-13,20-21,28-31,33,38-39,42H,3-7,11,14-19,22H2,1-2H3,(H,36,40)/t28-,29+,30-,31+,33-,35+/m1/s1
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n/an/a 1.55E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC as substrate after 30 mins by fluorescence assay

Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50499399
PNG
(CHEMBL3735187)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCCCC(=O)N(O)CCCC)[C@@]21[H] |r|
Show InChI InChI=1S/C33H53NO4/c1-3-4-21-34(38)31(37)14-12-10-8-6-5-7-9-11-13-24-22-25-23-26(35)15-16-27(25)28-19-20-33(2)29(32(24)28)17-18-30(33)36/h15-16,23-24,28-30,32,35-36,38H,3-14,17-22H2,1-2H3/t24-,28-,29+,30+,32-,33+/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha in human T47D-KBLuc cells assessed as inhibition of E2-induced transcriptional activity by luciferase reporter gene as...

Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50499399
PNG
(CHEMBL3735187)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCCCC(=O)N(O)CCCC)[C@@]21[H] |r|
Show InChI InChI=1S/C33H53NO4/c1-3-4-21-34(38)31(37)14-12-10-8-6-5-7-9-11-13-24-22-25-23-26(35)15-16-27(25)28-19-20-33(2)29(32(24)28)17-18-30(33)36/h15-16,23-24,28-30,32,35-36,38H,3-14,17-22H2,1-2H3/t24-,28-,29+,30+,32-,33+/m1/s1
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n/an/a 2.55E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at luciferase-fused ERalpha in human HEK293 cells expressing eYFP assessed as reduction of E2-induced estrogenic activity after 2...

Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50499398
PNG
(CHEMBL3735995)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCCCC(=O)Nc3ccccc3N)[C@@]21[H] |r|
Show InChI InChI=1S/C35H50N2O3/c1-35-21-20-28-27-17-16-26(38)23-25(27)22-24(34(28)29(35)18-19-32(35)39)12-8-6-4-2-3-5-7-9-15-33(40)37-31-14-11-10-13-30(31)36/h10-11,13-14,16-17,23-24,28-29,32,34,38-39H,2-9,12,15,18-22,36H2,1H3,(H,37,40)/t24-,28-,29+,32+,34-,35+/m1/s1
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n/an/a 3.18E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC as substrate after 30 mins by fluorescence assay

Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50499399
PNG
(CHEMBL3735187)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCCCC(=O)N(O)CCCC)[C@@]21[H] |r|
Show InChI InChI=1S/C33H53NO4/c1-3-4-21-34(38)31(37)14-12-10-8-6-5-7-9-11-13-24-22-25-23-26(35)15-16-27(25)28-19-20-33(2)29(32(24)28)17-18-30(33)36/h15-16,23-24,28-30,32,35-36,38H,3-14,17-22H2,1-2H3/t24-,28-,29+,30+,32-,33+/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC as substrate after 30 mins by fluorescence assay

Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50499401
PNG
(CHEMBL3735770)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](SCCCCCC(=O)Nc3cccc(c3)C(=O)N(O)CCCC)[C@@]21[H] |r|
Show InChI InChI=1S/C35H48N2O5S/c1-3-4-18-37(42)34(41)23-9-8-10-25(20-23)36-32(40)11-6-5-7-19-43-30-22-24-21-26(38)12-13-27(24)28-16-17-35(2)29(33(28)30)14-15-31(35)39/h8-10,12-13,20-21,28-31,33,38-39,42H,3-7,11,14-19,22H2,1-2H3,(H,36,40)/t28-,29+,30-,31+,33-,35+/m1/s1
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n/an/a 4.37E+4n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using Boc-Lys(Ac)-AMC as substrate after 30 mins by fluorescence assay

Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50499399
PNG
(CHEMBL3735187)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCCCC(=O)N(O)CCCC)[C@@]21[H] |r|
Show InChI InChI=1S/C33H53NO4/c1-3-4-21-34(38)31(37)14-12-10-8-6-5-7-9-11-13-24-22-25-23-26(35)15-16-27(25)28-19-20-33(2)29(32(24)28)17-18-30(33)36/h15-16,23-24,28-30,32,35-36,38H,3-14,17-22H2,1-2H3/t24-,28-,29+,30+,32-,33+/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using Boc-Lys(Ac)-AMC as substrate after 30 mins by fluorescence assay

Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50499398
PNG
(CHEMBL3735995)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCCCC(=O)Nc3ccccc3N)[C@@]21[H] |r|
Show InChI InChI=1S/C35H50N2O3/c1-35-21-20-28-27-17-16-26(38)23-25(27)22-24(34(28)29(35)18-19-32(35)39)12-8-6-4-2-3-5-7-9-15-33(40)37-31-14-11-10-13-30(31)36/h10-11,13-14,16-17,23-24,28-29,32,34,38-39H,2-9,12,15,18-22,36H2,1H3,(H,37,40)/t24-,28-,29+,32+,34-,35+/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using Boc-Lys(Ac)-AMC as substrate after 30 mins by fluorescence assay

Bioorg Med Chem 23: 7597-606 (2015)


Article DOI: 10.1016/j.bmc.2015.11.005
BindingDB Entry DOI: 10.7270/Q27W6G6H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%