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83 molecules are shown

Wt: 299.2
BDBM162723Purchase		Wt: 325.2
BDBM162738Purchase		Wt: 238.2
BDBM50036880Purchase		Wt: 254.2
BDBM50036932Purchase		Wt: 349.4
BDBM50026450
Wt: 458.4
BDBM50042847		Wt: 439.5
BDBM50027586		Wt: 377.5
BDBM50027649
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 54 hits for monomerid = 162723,162738,50036880,50036932,50026450,50042847,50027586,50027649   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Histone deacetylase 1


(Homo sapiens (Human))		BDBM162723
PNG
(US9056843, 14)
Show SMILES CCN(C)C(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C13H12F3N3O2/c1-3-19(2)11(20)9-6-4-8(5-7-9)10-17-12(21-18-10)13(14,15)16/h4-7H,3H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/a8.025



NOVARTIS AG

US Patent


Assay Description
A similar assay procedure as described in Test 2 was used for HDAC1. Human recombinant full length HDAC1 expressed in a baculovirus expression system...

US Patent US9056843 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PG8
More data for this
Ligand-Target Pair
Biofilm regulatory protein A


(Streptococcus mutans serotype c (strain ATCC 70061...)		BDBM50036932
PNG
(CHEMBL1478023 | US11866416, Compound SN-II-118)
Show SMILES Oc1ccc(\C=C2/Oc3ccccc3C2=O)cc1O
Show InChI InChI=1S/C15H10O4/c16-11-6-5-9(7-12(11)17)8-14-15(18)10-3-1-2-4-13(10)19-14/h1-8,16-17H/b14-8-
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n/an/a 2.80E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))		BDBM162723
PNG
(US9056843, 14)
Show SMILES CCN(C)C(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C13H12F3N3O2/c1-3-19(2)11(20)9-6-4-8(5-7-9)10-17-12(21-18-10)13(14,15)16/h4-7H,3H2,1-2H3
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n/an/a 900n/an/an/an/a8.025



NOVARTIS AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...

US Patent US9056843 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PG8
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))		BDBM162738
PNG
(US9056843, 29)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NC1CCCC1
Show InChI InChI=1S/C15H14F3N3O2/c16-15(17,18)14-20-12(21-23-14)9-5-7-10(8-6-9)13(22)19-11-3-1-2-4-11/h5-8,11H,1-4H2,(H,19,22)
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n/an/a 1.20E+3n/an/an/an/a8.025



NOVARTIS AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...

US Patent US9056843 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PG8
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM162723
PNG
(US9056843, 14)
Show SMILES CCN(C)C(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C13H12F3N3O2/c1-3-19(2)11(20)9-6-4-8(5-7-9)10-17-12(21-18-10)13(14,15)16/h4-7H,3H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/a8.025



NOVARTIS AG

US Patent


Assay Description
A similar assay procedure as described in Test 2 was used for HDAC6. Human recombinant full length HDAC6 expressed in a baculovirus expression system...

US Patent US9056843 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PG8
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM162738
PNG
(US9056843, 29)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NC1CCCC1
Show InChI InChI=1S/C15H14F3N3O2/c16-15(17,18)14-20-12(21-23-14)9-5-7-10(8-6-9)13(22)19-11-3-1-2-4-11/h5-8,11H,1-4H2,(H,19,22)
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n/an/a>1.00E+4n/an/an/an/a8.025



NOVARTIS AG

US Patent


Assay Description
A similar assay procedure as described in Test 2 was used for HDAC6. Human recombinant full length HDAC6 expressed in a baculovirus expression system...

US Patent US9056843 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PG8
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50027586
PNG
(CHEMBL3356926)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1[C@H](CNC1=O)c1ccccc1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C24H29N3O3S/c28-22(26-18-12-6-2-7-13-18)20(14-8-3-9-15-31)27-24(30)21-19(16-25-23(21)29)17-10-4-1-5-11-17/h1-2,4-7,10-13,19-21,31H,3,8-9,14-16H2,(H,25,29)(H,26,28)(H,27,30)/t19-,20+,21-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay

J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50027649
PNG
(CHEMBL3356527)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1CCCNC1=O)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C19H27N3O3S/c23-17-15(10-7-12-20-17)18(24)22-16(11-5-2-6-13-26)19(25)21-14-8-3-1-4-9-14/h1,3-4,8-9,15-16,26H,2,5-7,10-13H2,(H,20,23)(H,21,25)(H,22,24)/t15-,16+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay

J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50027586
PNG
(CHEMBL3356926)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1[C@H](CNC1=O)c1ccccc1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C24H29N3O3S/c28-22(26-18-12-6-2-7-13-18)20(14-8-3-9-15-31)27-24(30)21-19(16-25-23(21)29)17-10-4-1-5-11-17/h1-2,4-7,10-13,19-21,31H,3,8-9,14-16H2,(H,25,29)(H,26,28)(H,27,30)/t19-,20+,21-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay

J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50027649
PNG
(CHEMBL3356527)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1CCCNC1=O)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C19H27N3O3S/c23-17-15(10-7-12-20-17)18(24)22-16(11-5-2-6-13-26)19(25)21-14-8-3-1-4-9-14/h1,3-4,8-9,15-16,26H,2,5-7,10-13H2,(H,20,23)(H,21,25)(H,22,24)/t15-,16+/m1/s1
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n/an/a 62n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) using fluorogenic tetrapeptide RHK(Ac)K(Ac) substrate by fluorescence assay

J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50027586
PNG
(CHEMBL3356926)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1[C@H](CNC1=O)c1ccccc1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C24H29N3O3S/c28-22(26-18-12-6-2-7-13-18)20(14-8-3-9-15-31)27-24(30)21-19(16-25-23(21)29)17-10-4-1-5-11-17/h1-2,4-7,10-13,19-21,31H,3,8-9,14-16H2,(H,25,29)(H,26,28)(H,27,30)/t19-,20+,21-/m1/s1
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n/an/a 2.04E+3n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) using fluorogenic tetrapeptide RHK(Ac)K(Ac) substrate by fluorescence assay

J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50027586
PNG
(CHEMBL3356926)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1[C@H](CNC1=O)c1ccccc1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C24H29N3O3S/c28-22(26-18-12-6-2-7-13-18)20(14-8-3-9-15-31)27-24(30)21-19(16-25-23(21)29)17-10-4-1-5-11-17/h1-2,4-7,10-13,19-21,31H,3,8-9,14-16H2,(H,25,29)(H,26,28)(H,27,30)/t19-,20+,21-/m1/s1
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n/an/a 2.23E+3n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay

J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50027649
PNG
(CHEMBL3356527)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1CCCNC1=O)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C19H27N3O3S/c23-17-15(10-7-12-20-17)18(24)22-16(11-5-2-6-13-26)19(25)21-14-8-3-1-4-9-14/h1,3-4,8-9,15-16,26H,2,5-7,10-13H2,(H,20,23)(H,21,25)(H,22,24)/t15-,16+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay

J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50027586
PNG
(CHEMBL3356926)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1[C@H](CNC1=O)c1ccccc1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C24H29N3O3S/c28-22(26-18-12-6-2-7-13-18)20(14-8-3-9-15-31)27-24(30)21-19(16-25-23(21)29)17-10-4-1-5-11-17/h1-2,4-7,10-13,19-21,31H,3,8-9,14-16H2,(H,25,29)(H,26,28)(H,27,30)/t19-,20+,21-/m1/s1
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n/an/a 53n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay

J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50027649
PNG
(CHEMBL3356527)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1CCCNC1=O)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C19H27N3O3S/c23-17-15(10-7-12-20-17)18(24)22-16(11-5-2-6-13-26)19(25)21-14-8-3-1-4-9-14/h1,3-4,8-9,15-16,26H,2,5-7,10-13H2,(H,20,23)(H,21,25)(H,22,24)/t15-,16+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay

J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50027649
PNG
(CHEMBL3356527)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1CCCNC1=O)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C19H27N3O3S/c23-17-15(10-7-12-20-17)18(24)22-16(11-5-2-6-13-26)19(25)21-14-8-3-1-4-9-14/h1,3-4,8-9,15-16,26H,2,5-7,10-13H2,(H,20,23)(H,21,25)(H,22,24)/t15-,16+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay

J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))		BDBM50027649
PNG
(CHEMBL3356527)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1CCCNC1=O)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C19H27N3O3S/c23-17-15(10-7-12-20-17)18(24)22-16(11-5-2-6-13-26)19(25)21-14-8-3-1-4-9-14/h1,3-4,8-9,15-16,26H,2,5-7,10-13H2,(H,20,23)(H,21,25)(H,22,24)/t15-,16+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC10 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay

J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))		BDBM50027586
PNG
(CHEMBL3356926)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1[C@H](CNC1=O)c1ccccc1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C24H29N3O3S/c28-22(26-18-12-6-2-7-13-18)20(14-8-3-9-15-31)27-24(30)21-19(16-25-23(21)29)17-10-4-1-5-11-17/h1-2,4-7,10-13,19-21,31H,3,8-9,14-16H2,(H,25,29)(H,26,28)(H,27,30)/t19-,20+,21-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC10 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay

J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))		BDBM50027649
PNG
(CHEMBL3356527)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1CCCNC1=O)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C19H27N3O3S/c23-17-15(10-7-12-20-17)18(24)22-16(11-5-2-6-13-26)19(25)21-14-8-3-1-4-9-14/h1,3-4,8-9,15-16,26H,2,5-7,10-13H2,(H,20,23)(H,21,25)(H,22,24)/t15-,16+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay

J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))		BDBM50027586
PNG
(CHEMBL3356926)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1[C@H](CNC1=O)c1ccccc1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C24H29N3O3S/c28-22(26-18-12-6-2-7-13-18)20(14-8-3-9-15-31)27-24(30)21-19(16-25-23(21)29)17-10-4-1-5-11-17/h1-2,4-7,10-13,19-21,31H,3,8-9,14-16H2,(H,25,29)(H,26,28)(H,27,30)/t19-,20+,21-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay

J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 64n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay

Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NV9KTB
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))		BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 4.89E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9 after 60 mins by fluorimetric assay

Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NV9KTB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 5.22E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 after 60 mins by fluorimetric assay

Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NV9KTB
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))		BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 94n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC10 after 60 mins by fluorimetric assay

Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NV9KTB
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))		BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 2.34E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC11 after 60 mins by fluorimetric assay

Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NV9KTB
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))		BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 8.15E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 after 60 mins by fluorimetric assay

Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NV9KTB
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 2.98E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 after 60 mins by fluorimetric assay

Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NV9KTB
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 68n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 after 60 mins by fluorimetric assay

Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NV9KTB
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 397n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 after 60 mins by fluorimetric assay

Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NV9KTB
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50042847
PNG
(CHEMBL3098602)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H25F3N4O5/c21-20(22,23)12-5-4-6-13(11-12)24-18(30)14(7-2-1-3-8-17(29)27-32)26-19(31)15-9-10-16(28)25-15/h4-6,11,14-15,32H,1-3,7-10H2,(H,24,30)(H,25,28)(H,26,31)(H,27,29)/t14-,15+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 using RHKK(Ac) as substrate by fluorimetric analysis

Bioorg Med Chem Lett 25: 459-61 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.051
BindingDB Entry DOI: 10.7270/Q2445P3R
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50042847
PNG
(CHEMBL3098602)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H25F3N4O5/c21-20(22,23)12-5-4-6-13(11-12)24-18(30)14(7-2-1-3-8-17(29)27-32)26-19(31)15-9-10-16(28)25-15/h4-6,11,14-15,32H,1-3,7-10H2,(H,24,30)(H,25,28)(H,26,31)(H,27,29)/t14-,15+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3 using RHKK(Ac) as substrate by fluorimetric analysis

Bioorg Med Chem Lett 25: 459-61 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.051
BindingDB Entry DOI: 10.7270/Q2445P3R
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50042847
PNG
(CHEMBL3098602)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H25F3N4O5/c21-20(22,23)12-5-4-6-13(11-12)24-18(30)14(7-2-1-3-8-17(29)27-32)26-19(31)15-9-10-16(28)25-15/h4-6,11,14-15,32H,1-3,7-10H2,(H,24,30)(H,25,28)(H,26,31)(H,27,29)/t14-,15+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using RHKK(Ac) as substrate by fluorimetric analysis

Bioorg Med Chem Lett 25: 459-61 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.051
BindingDB Entry DOI: 10.7270/Q2445P3R
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50042847
PNG
(CHEMBL3098602)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H25F3N4O5/c21-20(22,23)12-5-4-6-13(11-12)24-18(30)14(7-2-1-3-8-17(29)27-32)26-19(31)15-9-10-16(28)25-15/h4-6,11,14-15,32H,1-3,7-10H2,(H,24,30)(H,25,28)(H,26,31)(H,27,29)/t14-,15+/m0/s1
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n/an/a 33n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using RHK(Ac)K(Ac) as substrate by fluorimetric analysis

Bioorg Med Chem Lett 25: 459-61 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.051
BindingDB Entry DOI: 10.7270/Q2445P3R
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))		BDBM50042847
PNG
(CHEMBL3098602)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H25F3N4O5/c21-20(22,23)12-5-4-6-13(11-12)24-18(30)14(7-2-1-3-8-17(29)27-32)26-19(31)15-9-10-16(28)25-15/h4-6,11,14-15,32H,1-3,7-10H2,(H,24,30)(H,25,28)(H,26,31)(H,27,29)/t14-,15+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC10 using RHKK(Ac) as substrate by fluorimetric analysis

Bioorg Med Chem Lett 25: 459-61 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.051
BindingDB Entry DOI: 10.7270/Q2445P3R
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))		BDBM50042847
PNG
(CHEMBL3098602)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H25F3N4O5/c21-20(22,23)12-5-4-6-13(11-12)24-18(30)14(7-2-1-3-8-17(29)27-32)26-19(31)15-9-10-16(28)25-15/h4-6,11,14-15,32H,1-3,7-10H2,(H,24,30)(H,25,28)(H,26,31)(H,27,29)/t14-,15+/m0/s1
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n/an/a 55n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 using RHKK(Ac) as substrate by fluorimetric analysis

Bioorg Med Chem Lett 25: 459-61 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.051
BindingDB Entry DOI: 10.7270/Q2445P3R
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50042847
PNG
(CHEMBL3098602)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H25F3N4O5/c21-20(22,23)12-5-4-6-13(11-12)24-18(30)14(7-2-1-3-8-17(29)27-32)26-19(31)15-9-10-16(28)25-15/h4-6,11,14-15,32H,1-3,7-10H2,(H,24,30)(H,25,28)(H,26,31)(H,27,29)/t14-,15+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using RHKK(Ac) as substrate by fluorimetric analysis

Bioorg Med Chem Lett 25: 459-61 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.051
BindingDB Entry DOI: 10.7270/Q2445P3R
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50036880
PNG
(CHEMBL199974)
Show SMILES Oc1ccc(\C=C2/Oc3ccccc3C2=O)cc1
Show InChI InChI=1S/C15H10O3/c16-11-7-5-10(6-8-11)9-14-15(17)12-3-1-2-4-13(12)18-14/h1-9,16H/b14-9-
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n/an/a 1.01E+5n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) after 15 mins by fluorescence assay

Bioorg Med Chem Lett 24: 5497-501 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.019
BindingDB Entry DOI: 10.7270/Q2X3502T
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50036932
PNG
(CHEMBL1478023 | US11866416, Compound SN-II-118)
Show SMILES Oc1ccc(\C=C2/Oc3ccccc3C2=O)cc1O
Show InChI InChI=1S/C15H10O4/c16-11-6-5-9(7-12(11)17)8-14-15(18)10-3-1-2-4-13(10)19-14/h1-8,16-17H/b14-8-
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) after 15 mins by fluorescence assay

Bioorg Med Chem Lett 24: 5497-501 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.019
BindingDB Entry DOI: 10.7270/Q2X3502T
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50036880
PNG
(CHEMBL199974)
Show SMILES Oc1ccc(\C=C2/Oc3ccccc3C2=O)cc1
Show InChI InChI=1S/C15H10O3/c16-11-7-5-10(6-8-11)9-14-15(17)12-3-1-2-4-13(12)18-14/h1-9,16H/b14-9-
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n/an/a 1.36E+5n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) after 15 mins by fluorescence assay

Bioorg Med Chem Lett 24: 5497-501 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.019
BindingDB Entry DOI: 10.7270/Q2X3502T
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50036932
PNG
(CHEMBL1478023 | US11866416, Compound SN-II-118)
Show SMILES Oc1ccc(\C=C2/Oc3ccccc3C2=O)cc1O
Show InChI InChI=1S/C15H10O4/c16-11-6-5-9(7-12(11)17)8-14-15(18)10-3-1-2-4-13(10)19-14/h1-8,16-17H/b14-8-
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n/an/a 2.69E+4n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) after 15 mins by fluorescence assay

Bioorg Med Chem Lett 24: 5497-501 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.019
BindingDB Entry DOI: 10.7270/Q2X3502T
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50036880
PNG
(CHEMBL199974)
Show SMILES Oc1ccc(\C=C2/Oc3ccccc3C2=O)cc1
Show InChI InChI=1S/C15H10O3/c16-11-7-5-10(6-8-11)9-14-15(17)12-3-1-2-4-13(12)18-14/h1-9,16H/b14-9-
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n/an/a 1.26E+4n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract after 15 mins by fluorescence assay

Bioorg Med Chem Lett 24: 5497-501 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.019
BindingDB Entry DOI: 10.7270/Q2X3502T
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50036932
PNG
(CHEMBL1478023 | US11866416, Compound SN-II-118)
Show SMILES Oc1ccc(\C=C2/Oc3ccccc3C2=O)cc1O
Show InChI InChI=1S/C15H10O4/c16-11-6-5-9(7-12(11)17)8-14-15(18)10-3-1-2-4-13(10)19-14/h1-8,16-17H/b14-8-
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n/an/a 8.20E+3n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract after 15 mins by fluorescence assay

Bioorg Med Chem Lett 24: 5497-501 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.019
BindingDB Entry DOI: 10.7270/Q2X3502T
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50036880
PNG
(CHEMBL199974)
Show SMILES Oc1ccc(\C=C2/Oc3ccccc3C2=O)cc1
Show InChI InChI=1S/C15H10O3/c16-11-7-5-10(6-8-11)9-14-15(17)12-3-1-2-4-13(12)18-14/h1-9,16H/b14-9-
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n/an/a 1.29E+5n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) after 15 mins by fluorescence assay

Bioorg Med Chem Lett 24: 5497-501 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.019
BindingDB Entry DOI: 10.7270/Q2X3502T
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50036932
PNG
(CHEMBL1478023 | US11866416, Compound SN-II-118)
Show SMILES Oc1ccc(\C=C2/Oc3ccccc3C2=O)cc1O
Show InChI InChI=1S/C15H10O4/c16-11-6-5-9(7-12(11)17)8-14-15(18)10-3-1-2-4-13(10)19-14/h1-8,16-17H/b14-8-
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n/an/a 1.14E+4n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) after 15 mins by fluorescence assay

Bioorg Med Chem Lett 24: 5497-501 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.019
BindingDB Entry DOI: 10.7270/Q2X3502T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))		BDBM50036880
PNG
(CHEMBL199974)
Show SMILES Oc1ccc(\C=C2/Oc3ccccc3C2=O)cc1
Show InChI InChI=1S/C15H10O3/c16-11-7-5-10(6-8-11)9-14-15(17)12-3-1-2-4-13(12)18-14/h1-9,16H/b14-9-
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n/an/a 5.30E+4n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged DRAK2 (unknown origin) autophosphorylation after 2 hrs by ADP-glo assay

Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))		BDBM50036932
PNG
(CHEMBL1478023 | US11866416, Compound SN-II-118)
Show SMILES Oc1ccc(\C=C2/Oc3ccccc3C2=O)cc1O
Show InChI InChI=1S/C15H10O4/c16-11-6-5-9(7-12(11)17)8-14-15(18)10-3-1-2-4-13(10)19-14/h1-8,16-17H/b14-8-
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n/an/a 3.08E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory constant for mouse kidney cytidine deaminase

Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))		BDBM50042847
PNG
(CHEMBL3098602)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H25F3N4O5/c21-20(22,23)12-5-4-6-13(11-12)24-18(30)14(7-2-1-3-8-17(29)27-32)26-19(31)15-9-10-16(28)25-15/h4-6,11,14-15,32H,1-3,7-10H2,(H,24,30)(H,25,28)(H,26,31)(H,27,29)/t14-,15+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3/NCOR2 using RHKK(Ac) as substrate by fluorimetric analysis

Bioorg Med Chem Lett 24: 61-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.072
BindingDB Entry DOI: 10.7270/Q21839GT
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50042847
PNG
(CHEMBL3098602)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H25F3N4O5/c21-20(22,23)12-5-4-6-13(11-12)24-18(30)14(7-2-1-3-8-17(29)27-32)26-19(31)15-9-10-16(28)25-15/h4-6,11,14-15,32H,1-3,7-10H2,(H,24,30)(H,25,28)(H,26,31)(H,27,29)/t14-,15+/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using RHK(Ac)K(Ac) as substrate by fluorimetric analysis

Bioorg Med Chem Lett 24: 61-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.072
BindingDB Entry DOI: 10.7270/Q21839GT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50042847
PNG
(CHEMBL3098602)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H25F3N4O5/c21-20(22,23)12-5-4-6-13(11-12)24-18(30)14(7-2-1-3-8-17(29)27-32)26-19(31)15-9-10-16(28)25-15/h4-6,11,14-15,32H,1-3,7-10H2,(H,24,30)(H,25,28)(H,26,31)(H,27,29)/t14-,15+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 using RHKK(Ac) as substrate by fluorimetric analysis

Bioorg Med Chem Lett 24: 61-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.072
BindingDB Entry DOI: 10.7270/Q21839GT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50042847
PNG
(CHEMBL3098602)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H25F3N4O5/c21-20(22,23)12-5-4-6-13(11-12)24-18(30)14(7-2-1-3-8-17(29)27-32)26-19(31)15-9-10-16(28)25-15/h4-6,11,14-15,32H,1-3,7-10H2,(H,24,30)(H,25,28)(H,26,31)(H,27,29)/t14-,15+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using RHKK(Ac) as substrate by fluorimetric analysis

Bioorg Med Chem Lett 24: 61-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.072
BindingDB Entry DOI: 10.7270/Q21839GT
More data for this
Ligand-Target Pair
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