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PubMed code 26054247

Compile data set for download or QSAR
Found 48 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 1


(Homo sapiens (Human))		BDBM50098416
PNG
(CHEMBL3593407)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)n2 |r,c:11|
Show InChI InChI=1S/C21H29N5O3S3/c1-12(2)17-18(28)23-13(6-4-5-7-30)8-15(27)22-9-16-24-14(10-31-16)19-26-21(3,11-32-19)20(29)25-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,27)(H,23,28)(H,25,29)/b6-4+/t13-,17+,21+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50098420
PNG
(CHEMBL3593411)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)c2 |r,c:11|
Show InChI InChI=1S/C23H30N4O4S2/c1-14(2)19-21(29)31-17(6-4-5-9-32)11-18(28)25-12-16-10-15(7-8-24-16)20-27-23(3,13-33-20)22(30)26-19/h4,6-8,10,14,17,19,32H,5,9,11-13H2,1-3H3,(H,25,28)(H,26,30)/b6-4+/t17-,19+,23+/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50098420
PNG
(CHEMBL3593411)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)c2 |r,c:11|
Show InChI InChI=1S/C23H30N4O4S2/c1-14(2)19-21(29)31-17(6-4-5-9-32)11-18(28)25-12-16-10-15(7-8-24-16)20-27-23(3,13-33-20)22(30)26-19/h4,6-8,10,14,17,19,32H,5,9,11-13H2,1-3H3,(H,25,28)(H,26,30)/b6-4+/t17-,19+,23+/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50098414
PNG
(CHEMBL3593247)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11|
Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50098416
PNG
(CHEMBL3593407)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)n2 |r,c:11|
Show InChI InChI=1S/C21H29N5O3S3/c1-12(2)17-18(28)23-13(6-4-5-7-30)8-15(27)22-9-16-24-14(10-31-16)19-26-21(3,11-32-19)20(29)25-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,27)(H,23,28)(H,25,29)/b6-4+/t13-,17+,21+/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50098418
PNG
(CHEMBL3593409)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2cccc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11|
Show InChI InChI=1S/C23H30N4O4S2/c1-14(2)19-21(29)31-16(8-4-5-10-32)11-18(28)24-12-15-7-6-9-17(25-15)20-27-23(3,13-33-20)22(30)26-19/h4,6-9,14,16,19,32H,5,10-13H2,1-3H3,(H,24,28)(H,26,30)/b8-4+/t16-,19+,23+/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50098414
PNG
(CHEMBL3593247)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11|
Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50098418
PNG
(CHEMBL3593409)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2cccc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11|
Show InChI InChI=1S/C23H30N4O4S2/c1-14(2)19-21(29)31-16(8-4-5-10-32)11-18(28)24-12-15-7-6-9-17(25-15)20-27-23(3,13-33-20)22(30)26-19/h4,6-9,14,16,19,32H,5,10-13H2,1-3H3,(H,24,28)(H,26,30)/b8-4+/t16-,19+,23+/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50098416
PNG
(CHEMBL3593407)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)n2 |r,c:11|
Show InChI InChI=1S/C21H29N5O3S3/c1-12(2)17-18(28)23-13(6-4-5-7-30)8-15(27)22-9-16-24-14(10-31-16)19-26-21(3,11-32-19)20(29)25-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,27)(H,23,28)(H,25,29)/b6-4+/t13-,17+,21+/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50098414
PNG
(CHEMBL3593247)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11|
Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50098420
PNG
(CHEMBL3593411)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)c2 |r,c:11|
Show InChI InChI=1S/C23H30N4O4S2/c1-14(2)19-21(29)31-17(6-4-5-9-32)11-18(28)25-12-16-10-15(7-8-24-16)20-27-23(3,13-33-20)22(30)26-19/h4,6-8,10,14,17,19,32H,5,9,11-13H2,1-3H3,(H,25,28)(H,26,30)/b6-4+/t17-,19+,23+/m1/s1
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n/an/a 4.40n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50098418
PNG
(CHEMBL3593409)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2cccc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11|
Show InChI InChI=1S/C23H30N4O4S2/c1-14(2)19-21(29)31-16(8-4-5-10-32)11-18(28)24-12-15-7-6-9-17(25-15)20-27-23(3,13-33-20)22(30)26-19/h4,6-9,14,16,19,32H,5,10-13H2,1-3H3,(H,24,28)(H,26,30)/b8-4+/t16-,19+,23+/m1/s1
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n/an/a 4.40n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50322422
PNG
(CHEMBL1173445 | Largazole)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26|
Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
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n/an/a 9.10n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50322422
PNG
(CHEMBL1173445 | Largazole)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26|
Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50098424
PNG
(CHEMBL3593415)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)c2 |r,c:11|
Show InChI InChI=1S/C23H31N5O3S2/c1-14(2)19-20(30)26-16(6-4-5-9-32)11-18(29)25-12-17-10-15(7-8-24-17)21-28-23(3,13-33-21)22(31)27-19/h4,6-8,10,14,16,19,32H,5,9,11-13H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/b6-4+/t16-,19+,23+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50098424
PNG
(CHEMBL3593415)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)c2 |r,c:11|
Show InChI InChI=1S/C23H31N5O3S2/c1-14(2)19-20(30)26-16(6-4-5-9-32)11-18(29)25-12-17-10-15(7-8-24-17)21-28-23(3,13-33-21)22(31)27-19/h4,6-8,10,14,16,19,32H,5,9,11-13H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/b6-4+/t16-,19+,23+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50322422
PNG
(CHEMBL1173445 | Largazole)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26|
Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50098424
PNG
(CHEMBL3593415)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)c2 |r,c:11|
Show InChI InChI=1S/C23H31N5O3S2/c1-14(2)19-20(30)26-16(6-4-5-9-32)11-18(29)25-12-17-10-15(7-8-24-17)21-28-23(3,13-33-21)22(31)27-19/h4,6-8,10,14,16,19,32H,5,9,11-13H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/b6-4+/t16-,19+,23+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50098414
PNG
(CHEMBL3593247)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11|
Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC6 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50098420
PNG
(CHEMBL3593411)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)c2 |r,c:11|
Show InChI InChI=1S/C23H30N4O4S2/c1-14(2)19-21(29)31-17(6-4-5-9-32)11-18(28)25-12-16-10-15(7-8-24-16)20-27-23(3,13-33-20)22(30)26-19/h4,6-8,10,14,17,19,32H,5,9,11-13H2,1-3H3,(H,25,28)(H,26,30)/b6-4+/t17-,19+,23+/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC6 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50098422
PNG
(CHEMBL3593413)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2cccc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)n2 |r,c:11|
Show InChI InChI=1S/C23H31N5O3S2/c1-14(2)19-20(30)26-15(7-4-5-10-32)11-18(29)24-12-16-8-6-9-17(25-16)21-28-23(3,13-33-21)22(31)27-19/h4,6-9,14-15,19,32H,5,10-13H2,1-3H3,(H,24,29)(H,26,30)(H,27,31)/b7-4+/t15-,19+,23+/m1/s1
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n/an/a 42n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50098422
PNG
(CHEMBL3593413)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2cccc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)n2 |r,c:11|
Show InChI InChI=1S/C23H31N5O3S2/c1-14(2)19-20(30)26-15(7-4-5-10-32)11-18(29)24-12-16-8-6-9-17(25-16)21-28-23(3,13-33-21)22(31)27-19/h4,6-9,14-15,19,32H,5,10-13H2,1-3H3,(H,24,29)(H,26,30)(H,27,31)/b7-4+/t15-,19+,23+/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50098418
PNG
(CHEMBL3593409)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2cccc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11|
Show InChI InChI=1S/C23H30N4O4S2/c1-14(2)19-21(29)31-16(8-4-5-10-32)11-18(28)24-12-15-7-6-9-17(25-15)20-27-23(3,13-33-20)22(30)26-19/h4,6-9,14,16,19,32H,5,10-13H2,1-3H3,(H,24,28)(H,26,30)/b8-4+/t16-,19+,23+/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC6 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50098422
PNG
(CHEMBL3593413)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2cccc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)n2 |r,c:11|
Show InChI InChI=1S/C23H31N5O3S2/c1-14(2)19-20(30)26-15(7-4-5-10-32)11-18(29)24-12-16-8-6-9-17(25-16)21-28-23(3,13-33-21)22(31)27-19/h4,6-9,14-15,19,32H,5,10-13H2,1-3H3,(H,24,29)(H,26,30)(H,27,31)/b7-4+/t15-,19+,23+/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50098420
PNG
(CHEMBL3593411)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)c2 |r,c:11|
Show InChI InChI=1S/C23H30N4O4S2/c1-14(2)19-21(29)31-17(6-4-5-9-32)11-18(28)25-12-16-10-15(7-8-24-16)20-27-23(3,13-33-20)22(30)26-19/h4,6-8,10,14,17,19,32H,5,9,11-13H2,1-3H3,(H,25,28)(H,26,30)/b6-4+/t17-,19+,23+/m1/s1
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n/an/a 102n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC8 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50098416
PNG
(CHEMBL3593407)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)n2 |r,c:11|
Show InChI InChI=1S/C21H29N5O3S3/c1-12(2)17-18(28)23-13(6-4-5-7-30)8-15(27)22-9-16-24-14(10-31-16)19-26-21(3,11-32-19)20(29)25-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,27)(H,23,28)(H,25,29)/b6-4+/t13-,17+,21+/m1/s1
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n/an/a 102n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC6 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50322422
PNG
(CHEMBL1173445 | Largazole)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26|
Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
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n/an/a 166n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC6 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50098417
PNG
(CHEMBL3593408)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cccc(n2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:27|
Show InChI InChI=1S/C31H44N4O5S2/c1-5-6-7-8-9-16-26(37)41-17-11-10-14-23-18-25(36)32-19-22-13-12-15-24(33-22)28-35-31(4,20-42-28)30(39)34-27(21(2)3)29(38)40-23/h10,12-15,21,23,27H,5-9,11,16-20H2,1-4H3,(H,32,36)(H,34,39)/b14-10+/t23-,27+,31+/m1/s1
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n/an/a 204n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50098414
PNG
(CHEMBL3593247)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11|
Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1
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n/an/a 228n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC8 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50098416
PNG
(CHEMBL3593407)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)n2 |r,c:11|
Show InChI InChI=1S/C21H29N5O3S3/c1-12(2)17-18(28)23-13(6-4-5-7-30)8-15(27)22-9-16-24-14(10-31-16)19-26-21(3,11-32-19)20(29)25-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,27)(H,23,28)(H,25,29)/b6-4+/t13-,17+,21+/m1/s1
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC8 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50098419
PNG
(CHEMBL3593410)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cc(ccn2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:27|
Show InChI InChI=1S/C31H44N4O5S2/c1-5-6-7-8-9-13-26(37)41-16-11-10-12-24-18-25(36)33-19-23-17-22(14-15-32-23)28-35-31(4,20-42-28)30(39)34-27(21(2)3)29(38)40-24/h10,12,14-15,17,21,24,27H,5-9,11,13,16,18-20H2,1-4H3,(H,33,36)(H,34,39)/b12-10+/t24-,27+,31+/m1/s1
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n/an/a 320n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50098421
PNG
(CHEMBL3593412)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cccc(n2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)N1 |r,t:27|
Show InChI InChI=1S/C31H45N5O4S2/c1-5-6-7-8-9-16-26(38)41-17-11-10-13-22-18-25(37)32-19-23-14-12-15-24(33-23)29-36-31(4,20-42-29)30(40)35-27(21(2)3)28(39)34-22/h10,12-15,21-22,27H,5-9,11,16-20H2,1-4H3,(H,32,37)(H,34,39)(H,35,40)/b13-10+/t22-,27+,31+/m1/s1
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n/an/a 332n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50098417
PNG
(CHEMBL3593408)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cccc(n2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:27|
Show InChI InChI=1S/C31H44N4O5S2/c1-5-6-7-8-9-16-26(37)41-17-11-10-14-23-18-25(36)32-19-22-13-12-15-24(33-22)28-35-31(4,20-42-28)30(39)34-27(21(2)3)29(38)40-23/h10,12-15,21,23,27H,5-9,11,16-20H2,1-4H3,(H,32,36)(H,34,39)/b14-10+/t23-,27+,31+/m1/s1
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n/an/a 332n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50098419
PNG
(CHEMBL3593410)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cc(ccn2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:27|
Show InChI InChI=1S/C31H44N4O5S2/c1-5-6-7-8-9-13-26(37)41-16-11-10-12-24-18-25(36)33-19-23-17-22(14-15-32-23)28-35-31(4,20-42-28)30(39)34-27(21(2)3)29(38)40-24/h10,12,14-15,17,21,24,27H,5-9,11,13,16,18-20H2,1-4H3,(H,33,36)(H,34,39)/b12-10+/t24-,27+,31+/m1/s1
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n/an/a 340n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50098421
PNG
(CHEMBL3593412)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cccc(n2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)N1 |r,t:27|
Show InChI InChI=1S/C31H45N5O4S2/c1-5-6-7-8-9-16-26(38)41-17-11-10-13-22-18-25(37)32-19-23-14-12-15-24(33-23)29-36-31(4,20-42-29)30(40)35-27(21(2)3)28(39)34-22/h10,12-15,21-22,27H,5-9,11,16-20H2,1-4H3,(H,32,37)(H,34,39)(H,35,40)/b13-10+/t22-,27+,31+/m1/s1
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n/an/a 340n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50098418
PNG
(CHEMBL3593409)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2cccc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11|
Show InChI InChI=1S/C23H30N4O4S2/c1-14(2)19-21(29)31-16(8-4-5-10-32)11-18(28)24-12-15-7-6-9-17(25-15)20-27-23(3,13-33-20)22(30)26-19/h4,6-9,14,16,19,32H,5,10-13H2,1-3H3,(H,24,28)(H,26,30)/b8-4+/t16-,19+,23+/m1/s1
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n/an/a 341n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC8 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50098417
PNG
(CHEMBL3593408)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cccc(n2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:27|
Show InChI InChI=1S/C31H44N4O5S2/c1-5-6-7-8-9-16-26(37)41-17-11-10-14-23-18-25(36)32-19-22-13-12-15-24(33-22)28-35-31(4,20-42-28)30(39)34-27(21(2)3)29(38)40-23/h10,12-15,21,23,27H,5-9,11,16-20H2,1-4H3,(H,32,36)(H,34,39)/b14-10+/t23-,27+,31+/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50098421
PNG
(CHEMBL3593412)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cccc(n2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)N1 |r,t:27|
Show InChI InChI=1S/C31H45N5O4S2/c1-5-6-7-8-9-16-26(38)41-17-11-10-13-22-18-25(37)32-19-23-14-12-15-24(33-23)29-36-31(4,20-42-29)30(40)35-27(21(2)3)28(39)34-22/h10,12-15,21-22,27H,5-9,11,16-20H2,1-4H3,(H,32,37)(H,34,39)(H,35,40)/b13-10+/t22-,27+,31+/m1/s1
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n/an/a 472n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50098415
PNG
(CHEMBL3593406)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)N1 |r,t:26|
Show InChI InChI=1S/C29H43N5O4S3/c1-5-6-7-8-9-13-24(36)39-14-11-10-12-20-15-22(35)30-16-23-32-21(17-40-23)27-34-29(4,18-41-27)28(38)33-25(19(2)3)26(37)31-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,35)(H,31,37)(H,33,38)/b12-10+/t20-,25+,29+/m1/s1
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n/an/a 544n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50098419
PNG
(CHEMBL3593410)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cc(ccn2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:27|
Show InChI InChI=1S/C31H44N4O5S2/c1-5-6-7-8-9-13-26(37)41-16-11-10-12-24-18-25(36)33-19-23-17-22(14-15-32-23)28-35-31(4,20-42-28)30(39)34-27(21(2)3)29(38)40-24/h10,12,14-15,17,21,24,27H,5-9,11,13,16,18-20H2,1-4H3,(H,33,36)(H,34,39)/b12-10+/t24-,27+,31+/m1/s1
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n/an/a 655n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50098423
PNG
(CHEMBL3593414)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cc(ccn2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)N1 |r,t:27|
Show InChI InChI=1S/C31H45N5O4S2/c1-5-6-7-8-9-13-26(38)41-16-11-10-12-23-18-25(37)33-19-24-17-22(14-15-32-24)29-36-31(4,20-42-29)30(40)35-27(21(2)3)28(39)34-23/h10,12,14-15,17,21,23,27H,5-9,11,13,16,18-20H2,1-4H3,(H,33,37)(H,34,39)(H,35,40)/b12-10+/t23-,27+,31+/m1/s1
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n/an/a 817n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50098415
PNG
(CHEMBL3593406)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)N1 |r,t:26|
Show InChI InChI=1S/C29H43N5O4S3/c1-5-6-7-8-9-13-24(36)39-14-11-10-12-20-15-22(35)30-16-23-32-21(17-40-23)27-34-29(4,18-41-27)28(38)33-25(19(2)3)26(37)31-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,35)(H,31,37)(H,33,38)/b12-10+/t20-,25+,29+/m1/s1
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n/an/a 825n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50098423
PNG
(CHEMBL3593414)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cc(ccn2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)N1 |r,t:27|
Show InChI InChI=1S/C31H45N5O4S2/c1-5-6-7-8-9-13-26(38)41-16-11-10-12-23-18-25(37)33-19-24-17-22(14-15-32-24)29-36-31(4,20-42-29)30(40)35-27(21(2)3)28(39)34-23/h10,12,14-15,17,21,23,27H,5-9,11,13,16,18-20H2,1-4H3,(H,33,37)(H,34,39)(H,35,40)/b12-10+/t23-,27+,31+/m1/s1
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n/an/a 847n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50322422
PNG
(CHEMBL1173445 | Largazole)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26|
Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
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n/an/a 1.07E+3n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC8 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50098415
PNG
(CHEMBL3593406)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)N1 |r,t:26|
Show InChI InChI=1S/C29H43N5O4S3/c1-5-6-7-8-9-13-24(36)39-14-11-10-12-20-15-22(35)30-16-23-32-21(17-40-23)27-34-29(4,18-41-27)28(38)33-25(19(2)3)26(37)31-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,35)(H,31,37)(H,33,38)/b12-10+/t20-,25+,29+/m1/s1
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n/an/a 1.15E+3n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50098423
PNG
(CHEMBL3593414)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cc(ccn2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)N1 |r,t:27|
Show InChI InChI=1S/C31H45N5O4S2/c1-5-6-7-8-9-13-26(38)41-16-11-10-12-23-18-25(37)33-19-24-17-22(14-15-32-24)29-36-31(4,20-42-29)30(40)35-27(21(2)3)28(39)34-23/h10,12,14-15,17,21,23,27H,5-9,11,13,16,18-20H2,1-4H3,(H,33,37)(H,34,39)(H,35,40)/b12-10+/t23-,27+,31+/m1/s1
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n/an/a 1.24E+3n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50098424
PNG
(CHEMBL3593415)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)c2 |r,c:11|
Show InChI InChI=1S/C23H31N5O3S2/c1-14(2)19-20(30)26-16(6-4-5-9-32)11-18(29)25-12-17-10-15(7-8-24-17)21-28-23(3,13-33-21)22(31)27-19/h4,6-8,10,14,16,19,32H,5,9,11-13H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/b6-4+/t16-,19+,23+/m1/s1
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n/an/a 1.49E+3n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC8 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50098424
PNG
(CHEMBL3593415)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)c2 |r,c:11|
Show InChI InChI=1S/C23H31N5O3S2/c1-14(2)19-20(30)26-16(6-4-5-9-32)11-18(29)25-12-17-10-15(7-8-24-17)21-28-23(3,13-33-21)22(31)27-19/h4,6-8,10,14,16,19,32H,5,9,11-13H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/b6-4+/t16-,19+,23+/m1/s1
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n/an/a 2.85E+3n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC6 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...

Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%