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PubMed code 26149591

Compile data set for download or QSAR
Found 28 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
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498414
PNG
(CHEMBL3594221)
Show SMILES ONC(=O)CCCCCC(=O)NCc1ccc2cc(Br)ccc2n1
Show InChI InChI=1S/C17H20BrN3O3/c18-13-7-9-15-12(10-13)6-8-14(20-15)11-19-16(22)4-2-1-3-5-17(23)21-24/h6-10,24H,1-5,11H2,(H,19,22)(H,21,23)
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n/an/a 85n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498422
PNG
(CHEMBL3594220)
Show SMILES ONC(=O)CCCCCC(=O)NCc1ccc2cc(Cl)ccc2n1
Show InChI InChI=1S/C17H20ClN3O3/c18-13-7-9-15-12(10-13)6-8-14(20-15)11-19-16(22)4-2-1-3-5-17(23)21-24/h6-10,24H,1-5,11H2,(H,19,22)(H,21,23)
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n/an/a 120n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498403
PNG
(CHEMBL3594299)
Show SMILES ONC(=O)CCCCCC(=O)NCc1ccc2cc(I)ccc2n1
Show InChI InChI=1S/C17H20IN3O3/c18-13-7-9-15-12(10-13)6-8-14(20-15)11-19-16(22)4-2-1-3-5-17(23)21-24/h6-10,24H,1-5,11H2,(H,19,22)(H,21,23)
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n/an/a 132n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498415
PNG
(CHEMBL3594222)
Show SMILES ONC(=O)CCCCCCC(=O)NCc1ccc2cc(Br)ccc2n1
Show InChI InChI=1S/C18H22BrN3O3/c19-14-8-10-16-13(11-14)7-9-15(21-16)12-20-17(23)5-3-1-2-4-6-18(24)22-25/h7-11,25H,1-6,12H2,(H,20,23)(H,22,24)
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n/an/a 146n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498404
PNG
(CHEMBL3594301)
Show SMILES NC(=O)c1cc(CNC(=O)CCCCCC(=O)NO)nc2ccc(cc12)-c1ccccc1
Show InChI InChI=1S/C24H26N4O4/c25-24(31)20-14-18(15-26-22(29)9-5-2-6-10-23(30)28-32)27-21-12-11-17(13-19(20)21)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,32H,2,5-6,9-10,15H2,(H2,25,31)(H,26,29)(H,28,30)
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n/an/a 152n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498413
PNG
(CHEMBL3594219)
Show SMILES ONC(=O)CCCCCC(=O)NCc1ccc2cc(F)ccc2n1
Show InChI InChI=1S/C17H20FN3O3/c18-13-7-9-15-12(10-13)6-8-14(20-15)11-19-16(22)4-2-1-3-5-17(23)21-24/h6-10,24H,1-5,11H2,(H,19,22)(H,21,23)
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n/an/a 155n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(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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Article
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n/an/a 161n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498411
PNG
(CHEMBL3594213)
Show SMILES ONC(=O)CCCCCC(=O)NCc1cc(C(=O)Nc2ccccc2)c2cc(Br)ccc2n1
Show InChI InChI=1S/C24H25BrN4O4/c25-16-11-12-21-19(13-16)20(24(32)28-17-7-3-1-4-8-17)14-18(27-21)15-26-22(30)9-5-2-6-10-23(31)29-33/h1,3-4,7-8,11-14,33H,2,5-6,9-10,15H2,(H,26,30)(H,28,32)(H,29,31)
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n/an/a 196n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498417
PNG
(CHEMBL3594217)
Show SMILES ONC(=O)CCCCCC(=O)NCc1ccc2ccccc2n1
Show InChI InChI=1S/C17H21N3O3/c21-16(8-2-1-3-9-17(22)20-23)18-12-14-11-10-13-6-4-5-7-15(13)19-14/h4-7,10-11,23H,1-3,8-9,12H2,(H,18,21)(H,20,22)
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n/an/a 266n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498424
PNG
(CHEMBL3594204)
Show SMILES ONC(=O)CCCCCC(=O)NCc1cc(C(=O)Nc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C24H26N4O4/c29-22(13-5-2-6-14-23(30)28-32)25-16-18-15-20(19-11-7-8-12-21(19)26-18)24(31)27-17-9-3-1-4-10-17/h1,3-4,7-12,15,32H,2,5-6,13-14,16H2,(H,25,29)(H,27,31)(H,28,30)
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n/an/a 301n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498421
PNG
(CHEMBL3594300)
Show SMILES ONC(=O)CCCCCC(=O)NCc1cc(C(=O)NCc2ccccc2)c2cc(ccc2n1)-c1ccccc1
Show InChI InChI=1S/C31H32N4O4/c36-29(14-8-3-9-15-30(37)35-39)32-21-25-19-27(31(38)33-20-22-10-4-1-5-11-22)26-18-24(16-17-28(26)34-25)23-12-6-2-7-13-23/h1-2,4-7,10-13,16-19,39H,3,8-9,14-15,20-21H2,(H,32,36)(H,33,38)(H,35,37)
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n/an/a 341n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498409
PNG
(CHEMBL3594210)
Show SMILES ONC(=O)CCCCCC(=O)NCc1cc(C(=O)NCc2ccccc2)c2cc(Br)ccc2n1
Show InChI InChI=1S/C25H27BrN4O4/c26-18-11-12-22-20(13-18)21(25(33)28-15-17-7-3-1-4-8-17)14-19(29-22)16-27-23(31)9-5-2-6-10-24(32)30-34/h1,3-4,7-8,11-14,34H,2,5-6,9-10,15-16H2,(H,27,31)(H,28,33)(H,30,32)
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n/an/a 343n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498400
PNG
(CHEMBL3594201)
Show SMILES ONC(=O)CCCCCC(=O)NCc1cc(C(=O)NCc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C25H28N4O4/c30-23(13-5-2-6-14-24(31)29-33)26-17-19-15-21(20-11-7-8-12-22(20)28-19)25(32)27-16-18-9-3-1-4-10-18/h1,3-4,7-12,15,33H,2,5-6,13-14,16-17H2,(H,26,30)(H,27,32)(H,29,31)
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n/an/a 399n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498407
PNG
(CHEMBL3594206)
Show SMILES CCCCNC(=O)c1cc(CNC(=O)CCCCCC(=O)NO)nc2ccccc12
Show InChI InChI=1S/C22H30N4O4/c1-2-3-13-23-22(29)18-14-16(25-19-10-8-7-9-17(18)19)15-24-20(27)11-5-4-6-12-21(28)26-30/h7-10,14,30H,2-6,11-13,15H2,1H3,(H,23,29)(H,24,27)(H,26,28)
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n/an/a 444n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498416
PNG
(CHEMBL3594205)
Show SMILES ONC(=O)CCCCCCC(=O)NCc1cc(C(=O)Nc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C25H28N4O4/c30-23(14-6-1-2-7-15-24(31)29-33)26-17-19-16-21(20-12-8-9-13-22(20)27-19)25(32)28-18-10-4-3-5-11-18/h3-5,8-13,16,33H,1-2,6-7,14-15,17H2,(H,26,30)(H,28,32)(H,29,31)
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n/an/a 562n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498423
PNG
(CHEMBL3594208)
Show SMILES CNC(=O)c1cc(CNC(=O)CCCCCC(=O)NO)nc2ccccc12
Show InChI InChI=1S/C19H24N4O4/c1-20-19(26)15-11-13(22-16-8-6-5-7-14(15)16)12-21-17(24)9-3-2-4-10-18(25)23-27/h5-8,11,27H,2-4,9-10,12H2,1H3,(H,20,26)(H,21,24)(H,23,25)
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n/an/a 642n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498412
PNG
(CHEMBL3594218)
Show SMILES ONC(=O)CCCCCCC(=O)NCc1ccc2ccccc2n1
Show InChI InChI=1S/C18H23N3O3/c22-17(9-3-1-2-4-10-18(23)21-24)19-13-15-12-11-14-7-5-6-8-16(14)20-15/h5-8,11-12,24H,1-4,9-10,13H2,(H,19,22)(H,21,23)
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n/an/a 678n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498405
PNG
(CHEMBL3594202)
Show SMILES ONC(=O)CCCCCCC(=O)NCc1cc(C(=O)NCc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C26H30N4O4/c31-24(14-6-1-2-7-15-25(32)30-34)27-18-20-16-22(21-12-8-9-13-23(21)29-20)26(33)28-17-19-10-4-3-5-11-19/h3-5,8-13,16,34H,1-2,6-7,14-15,17-18H2,(H,27,31)(H,28,33)(H,30,32)
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n/an/a 780n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498408
PNG
(CHEMBL3594207)
Show SMILES CCCCNC(=O)c1cc(CNC(=O)CCCCCCC(=O)NO)nc2ccccc12
Show InChI InChI=1S/C23H32N4O4/c1-2-3-14-24-23(30)19-15-17(26-20-11-9-8-10-18(19)20)16-25-21(28)12-6-4-5-7-13-22(29)27-31/h8-11,15,31H,2-7,12-14,16H2,1H3,(H,24,30)(H,25,28)(H,27,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498401
PNG
(CHEMBL3594209)
Show SMILES CNC(=O)c1cc(CNC(=O)CCCCCCC(=O)NO)nc2ccccc12
Show InChI InChI=1S/C20H26N4O4/c1-21-20(27)16-12-14(23-17-9-7-6-8-15(16)17)13-22-18(25)10-4-2-3-5-11-19(26)24-28/h6-9,12,28H,2-5,10-11,13H2,1H3,(H,21,27)(H,22,25)(H,24,26)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498419
PNG
(CHEMBL3594211)
Show SMILES ONC(=O)CCCCCCC(=O)NCc1cc(C(=O)NCc2ccccc2)c2cc(Br)ccc2n1
Show InChI InChI=1S/C26H29BrN4O4/c27-19-12-13-23-21(14-19)22(26(34)29-16-18-8-4-3-5-9-18)15-20(30-23)17-28-24(32)10-6-1-2-7-11-25(33)31-35/h3-5,8-9,12-15,35H,1-2,6-7,10-11,16-17H2,(H,28,32)(H,29,34)(H,31,33)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498425
PNG
(CHEMBL3594199)
Show SMILES ONC(=O)CCCC(=O)NCc1cc(C(=O)NCc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C23H24N4O4/c28-21(11-6-12-22(29)27-31)24-15-17-13-19(18-9-4-5-10-20(18)26-17)23(30)25-14-16-7-2-1-3-8-16/h1-5,7-10,13,31H,6,11-12,14-15H2,(H,24,28)(H,25,30)(H,27,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498418
PNG
(CHEMBL3594200)
Show SMILES ONC(=O)CCCCC(=O)NCc1cc(C(=O)NCc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C24H26N4O4/c29-22(12-6-7-13-23(30)28-32)25-16-18-14-20(19-10-4-5-11-21(19)27-18)24(31)26-15-17-8-2-1-3-9-17/h1-5,8-11,14,32H,6-7,12-13,15-16H2,(H,25,29)(H,26,31)(H,28,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498402
PNG
(CHEMBL3594216)
Show SMILES ONC(=O)CCCCC(=O)NCc1ccc2ccccc2n1
Show InChI InChI=1S/C16H19N3O3/c20-15(7-3-4-8-16(21)19-22)17-11-13-10-9-12-5-1-2-6-14(12)18-13/h1-2,5-6,9-10,22H,3-4,7-8,11H2,(H,17,20)(H,19,21)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498410
PNG
(CHEMBL3594212)
Show SMILES ONC(=O)CCCCCCCC(=O)NCc1cc(C(=O)NCc2ccccc2)c2cc(Br)ccc2n1
Show InChI InChI=1S/C27H31BrN4O4/c28-20-13-14-24-22(15-20)23(27(35)30-17-19-9-5-4-6-10-19)16-21(31-24)18-29-25(33)11-7-2-1-3-8-12-26(34)32-36/h4-6,9-10,13-16,36H,1-3,7-8,11-12,17-18H2,(H,29,33)(H,30,35)(H,32,34)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498420
PNG
(CHEMBL3594214)
Show SMILES ONC(=O)CCCCCCC(=O)NCc1cc(C(=O)Nc2ccccc2)c2cc(Br)ccc2n1
Show InChI InChI=1S/C25H27BrN4O4/c26-17-12-13-22-20(14-17)21(25(33)29-18-8-4-3-5-9-18)15-19(28-22)16-27-23(31)10-6-1-2-7-11-24(32)30-34/h3-5,8-9,12-15,34H,1-2,6-7,10-11,16H2,(H,27,31)(H,29,33)(H,30,32)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498406
PNG
(CHEMBL3594203)
Show SMILES ONC(=O)CCCCCCCC(=O)NCc1cc(C(=O)NCc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C27H32N4O4/c32-25(15-7-2-1-3-8-16-26(33)31-35)28-19-21-17-23(22-13-9-10-14-24(22)30-21)27(34)29-18-20-11-5-4-6-12-20/h4-6,9-14,17,35H,1-3,7-8,15-16,18-19H2,(H,28,32)(H,29,34)(H,31,33)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498426
PNG
(CHEMBL3594215)
Show SMILES ONC(=O)CCCC(=O)NCc1ccc2ccccc2n1
Show InChI InChI=1S/C15H17N3O3/c19-14(6-3-7-15(20)18-21)16-10-12-9-8-11-4-1-2-5-13(11)17-12/h1-2,4-5,8-9,21H,3,6-7,10H2,(H,16,19)(H,18,20)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...

Bioorg Med Chem 23: 4364-4374 (2015)


Article DOI: 10.1016/j.bmc.2015.06.024
BindingDB Entry DOI: 10.7270/Q2JQ1419
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%