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Compile Data Set for Download or QSAR

Found 332 hits with Last Name = 'cao' and Initial = 'f'   
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 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))		BDBM207629
PNG
(US9265734, R01 | US9796664, Compound R01)
Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N
Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)
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 5n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3 (unknown origin)/NCOR2 (unknown origin) using acetyl-Lys(Ac)-AMC as substrate preincubated for up to 3 hrs followed b...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM207629
PNG
(US9265734, R01 | US9796664, Compound R01)
Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N
Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)
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 32n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using acetyl-Lys(Ac)-AMC as substrate preincubated for up to 3 hrs followed by substrate addition an...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))		BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 9.70n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) express...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50509450
PNG
(CHEMBL4474656)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C32H33N5O3/c1-36(2)27-18-16-26(17-19-27)32(40)37(22-30(38)34-20-23-8-4-3-5-9-23)21-24-12-14-25(15-13-24)31(39)35-29-11-7-6-10-28(29)33/h3-19H,20-22,33H2,1-2H3,(H,34,38)(H,35,39)
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n/an/a 38n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50509458
PNG
(CHEMBL4553076)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1
Show InChI InChI=1S/C38H37N5O3/c1-42(2)33-20-17-31(18-21-33)38(46)43(26-36(44)40-24-27-9-5-3-6-10-27)25-28-13-15-30(16-14-28)37(45)41-35-23-32(19-22-34(35)39)29-11-7-4-8-12-29/h3-23H,24-26,39H2,1-2H3,(H,40,44)(H,41,45)
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n/an/a 39n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50509443
PNG
(CHEMBL4587363)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1
Show InChI InChI=1S/C38H36N4O3/c1-26-19-27(2)21-33(20-26)38(45)42(25-36(43)40-23-28-9-5-3-6-10-28)24-29-13-15-31(16-14-29)37(44)41-35-22-32(17-18-34(35)39)30-11-7-4-8-12-30/h3-22H,23-25,39H2,1-2H3,(H,40,43)(H,41,44)
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n/an/a 51n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50509442
PNG
(CHEMBL4564332)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)Nc1cc(ccc1N)-c1ccccc1)CC(=O)NCc1ccccc1
Show InChI InChI=1S/C36H40N4O3/c1-26-20-27(2)22-31(21-26)36(43)40(25-35(42)38-24-28-12-6-3-7-13-28)19-11-5-10-16-34(41)39-33-23-30(17-18-32(33)37)29-14-8-4-9-15-29/h3-4,6-9,12-15,17-18,20-23H,5,10-11,16,19,24-25,37H2,1-2H3,(H,38,42)(H,39,41)
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n/an/a 57n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50509452
PNG
(CHEMBL4459617)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C32H32N4O3/c1-22-16-23(2)18-27(17-22)32(39)36(21-30(37)34-19-24-8-4-3-5-9-24)20-25-12-14-26(15-13-25)31(38)35-29-11-7-6-10-28(29)33/h3-18H,19-21,33H2,1-2H3,(H,34,37)(H,35,38)
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n/an/a 62n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 102n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells ZMAL as substrate incubated for 90 min...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50509457
PNG
(CHEMBL4460434)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CN(CC(=O)NCc2ccccc2)C(=O)c2cccnc2)cc1
Show InChI InChI=1S/C29H27N5O3/c30-25-10-4-5-11-26(25)33-28(36)23-14-12-22(13-15-23)19-34(29(37)24-9-6-16-31-18-24)20-27(35)32-17-21-7-2-1-3-8-21/h1-16,18H,17,19-20,30H2,(H,32,35)(H,33,36)
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n/an/a 103n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50509450
PNG
(CHEMBL4474656)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C32H33N5O3/c1-36(2)27-18-16-26(17-19-27)32(40)37(22-30(38)34-20-23-8-4-3-5-9-23)21-24-12-14-25(15-13-24)31(39)35-29-11-7-6-10-28(29)33/h3-19H,20-22,33H2,1-2H3,(H,34,38)(H,35,39)
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n/an/a 110n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and measure...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 111n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))		BDBM19422
PNG
(4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
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n/an/a 130n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His/FLAG-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Boc-Lys(epsilon-Ac)-AMC as s...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112800
BindingDB Entry DOI: 10.7270/Q2FF3X1W
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 146n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilon-ace...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Phospholipase A2, membrane associated


(Homo sapiens (Human))		BDBM50206910
PNG
((+/-)-1-O-(4-cyanomethylphenyl)-3-O-[4-(4,5-dihydr...)
Show SMILES CCCCCCCCCCCCCCCCCCOC(COCc1ccc(cc1)C#N)COc1ccc(Cc2nc(=O)o[nH]2)cc1
Show InChI InChI=1S/C38H55N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-44-36(30-43-29-34-20-18-33(28-39)19-21-34)31-45-35-24-22-32(23-25-35)27-37-40-38(42)46-41-37/h18-25,36H,2-17,26-27,29-31H2,1H3,(H,40,41,42)
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n/an/a 150n/an/an/an/an/an/a



Université Paris7-Denis Diderot

Curated by ChEMBL


Assay Description
Inhibition of human group IIA PLA2 by fluorimetric assay

J Med Chem 50: 1618-26 (2007)


Article DOI: 10.1021/jm060082n
BindingDB Entry DOI: 10.7270/Q2TQ6174
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))		BDBM50509445
PNG
(CHEMBL4578162)
Show SMILES Nc1ccccc1NC(=O)CCCCCN(CC(=O)NCc1ccccc1)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C32H34N4O3/c33-28-18-8-9-19-29(28)35-30(37)20-5-2-10-21-36(23-31(38)34-22-24-12-3-1-4-13-24)32(39)27-17-11-15-25-14-6-7-16-26(25)27/h1,3-4,6-9,11-19H,2,5,10,20-23,33H2,(H,34,38)(H,35,37)
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n/an/a 163n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) express...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50509452
PNG
(CHEMBL4459617)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C32H32N4O3/c1-22-16-23(2)18-27(17-22)32(39)36(21-30(37)34-19-24-8-4-3-5-9-24)20-25-12-14-26(15-13-25)31(38)35-29-11-7-6-10-28(29)33/h3-18H,19-21,33H2,1-2H3,(H,34,37)(H,35,38)
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n/an/a 180n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and measure...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))		BDBM50055371
PNG
((3-aminooxalyl-1-biphenyl-2-ylmethyl-2-methyl-1H-i...)
Show SMILES Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1-c1ccccc1
Show InChI InChI=1S/C26H22N2O5/c1-16-23(25(31)26(27)32)24-20(12-7-13-21(24)33-15-22(29)30)28(16)14-18-10-5-6-11-19(18)17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H2,27,32)(H,29,30)
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n/an/a 180n/an/an/an/an/an/a



Université Paris7-Denis Diderot

Curated by ChEMBL


Assay Description
Inhibition of human group IIA PLA2 in [3H]oleate-labeled Escherichia coli membrane by radiometric assay

J Med Chem 50: 1618-26 (2007)


Article DOI: 10.1021/jm060082n
BindingDB Entry DOI: 10.7270/Q2TQ6174
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM19410
PNG
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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n/an/a 190n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His/FLAG-tagged HDAC1 using Boc-Lys-(epsilon-Ac)-AMC as fluorogenic substrate incubated for 90 mins by flu...

Eur J Med Chem 177: 457-466 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.038
BindingDB Entry DOI: 10.7270/Q2WS8XJ0
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))		BDBM19422
PNG
(4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
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n/an/a 190n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculo...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112800
BindingDB Entry DOI: 10.7270/Q2FF3X1W
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))		BDBM50254780
PNG
(CHEMBL4078477 | US10301323, Compound D2 | US990889...)
Show SMILES Nc1cc(F)ccc1NC(=O)\C=C\c1cnn(C\C=C\c2ccccc2)c1
Show InChI InChI=1S/C21H19FN4O/c22-18-9-10-20(19(23)13-18)25-21(27)11-8-17-14-24-26(15-17)12-4-7-16-5-2-1-3-6-16/h1-11,13-15H,12,23H2,(H,25,27)/b7-4+,11-8+
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n/an/a 210n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His-tagged HDAC3/NCOR2 using Boc-Lys-(epsilon-Ac)-AMC as fluorogenic substrate incubated for 90 mins by fl...

Eur J Med Chem 177: 457-466 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.038
BindingDB Entry DOI: 10.7270/Q2WS8XJ0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50556453
PNG
(CHEMBL4760412)
Show SMILES Nc1ccccc1NC(=O)c1ccc(NC(=O)CCCCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1
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n/an/a 220n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His/FLAG-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Boc-Lys(epsilon-Ac)-AMC as s...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112800
BindingDB Entry DOI: 10.7270/Q2FF3X1W
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50556455
PNG
(CHEMBL4740328)
Show SMILES Nc1ccccc1NC(=O)c1ccc(NC(=O)CCCCCCNC(=O)CNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1
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n/an/a 240n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His/FLAG-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Boc-Lys(epsilon-Ac)-AMC as s...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112800
BindingDB Entry DOI: 10.7270/Q2FF3X1W
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))		BDBM50509455
PNG
(CHEMBL4466067)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)Nc1ccccc1N)CC(=O)NCc1ccccc1
Show InChI InChI=1S/C30H36N4O3/c1-22-17-23(2)19-25(18-22)30(37)34(21-29(36)32-20-24-11-5-3-6-12-24)16-10-4-7-15-28(35)33-27-14-9-8-13-26(27)31/h3,5-6,8-9,11-14,17-19H,4,7,10,15-16,20-21,31H2,1-2H3,(H,32,36)(H,33,35)
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n/an/a 250n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) express...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))		BDBM50055371
PNG
((3-aminooxalyl-1-biphenyl-2-ylmethyl-2-methyl-1H-i...)
Show SMILES Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1-c1ccccc1
Show InChI InChI=1S/C26H22N2O5/c1-16-23(25(31)26(27)32)24-20(12-7-13-21(24)33-15-22(29)30)28(16)14-18-10-5-6-11-19(18)17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H2,27,32)(H,29,30)
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n/an/a 270n/an/an/an/an/an/a



Université Paris7-Denis Diderot

Curated by ChEMBL


Assay Description
Inhibition of human group V PLA2 in [3H]oleate-labeled Escherichia coli membrane by radiometric assay

J Med Chem 50: 1618-26 (2007)


Article DOI: 10.1021/jm060082n
BindingDB Entry DOI: 10.7270/Q2TQ6174
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50509446
PNG
(CHEMBL4541820)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1cc(F)ccc1N
Show InChI InChI=1S/C32H31FN4O3/c1-21-14-22(2)16-26(15-21)32(40)37(20-30(38)35-18-23-6-4-3-5-7-23)19-24-8-10-25(11-9-24)31(39)36-29-17-27(33)12-13-28(29)34/h3-17H,18-20,34H2,1-2H3,(H,35,38)(H,36,39)
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n/an/a 277n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))		BDBM50206911
PNG
((+/+)-1-O-decyl-3-O-[4-(4,5-dihydro-5-oxo-1,2,4-4H...)
Show SMILES CCCCCCCCCCCCCCOC(COCCCCCCCCCC)COc1ccc(cc1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C35H60N2O5/c1-3-5-7-9-11-13-14-15-16-18-20-22-28-40-33(29-39-27-21-19-17-12-10-8-6-4-2)30-41-32-25-23-31(24-26-32)34-36-35(38)42-37-34/h23-26,33H,3-22,27-30H2,1-2H3,(H,36,37,38)
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n/an/a 280n/an/an/an/an/an/a



Université Paris7-Denis Diderot

Curated by ChEMBL


Assay Description
Inhibition of human group IIA PLA2 by fluorimetric assay

J Med Chem 50: 1618-26 (2007)


Article DOI: 10.1021/jm060082n
BindingDB Entry DOI: 10.7270/Q2TQ6174
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))		BDBM50206913
PNG
((+/-)-3-O-[4-(4,5-dihydro-5-oxo-1,2,4-4H-oxadiazol...)
Show SMILES CCCCCCCCCCCCCCOC(COC(c1ccccc1)c1ccccc1)COc1ccc(cc1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C38H50N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-19-28-42-35(29-43-34-26-24-33(25-27-34)37-39-38(41)45-40-37)30-44-36(31-20-15-13-16-21-31)32-22-17-14-18-23-32/h13-18,20-27,35-36H,2-12,19,28-30H2,1H3,(H,39,40,41)
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n/an/a 280n/an/an/an/an/an/a



Université Paris7-Denis Diderot

Curated by ChEMBL


Assay Description
Inhibition of human group IIA PLA2 by fluorimetric assay

J Med Chem 50: 1618-26 (2007)


Article DOI: 10.1021/jm060082n
BindingDB Entry DOI: 10.7270/Q2TQ6174
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50509450
PNG
(CHEMBL4474656)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C32H33N5O3/c1-36(2)27-18-16-26(17-19-27)32(40)37(22-30(38)34-20-23-8-4-3-5-9-23)21-24-12-14-25(15-13-24)31(39)35-29-11-7-6-10-28(29)33/h3-19H,20-22,33H2,1-2H3,(H,34,38)(H,35,39)
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n/an/a 283n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilon-ace...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50556451
PNG
(CHEMBL4757641)
Show SMILES Nc1ccccc1NC(=O)c1ccc(NC(=O)CCCCNC(=O)CNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1
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n/an/a 290n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His/FLAG-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Boc-Lys(epsilon-Ac)-AMC as s...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112800
BindingDB Entry DOI: 10.7270/Q2FF3X1W
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))		BDBM50206912
PNG
((+/-)-3-O-[4-(4,5-dihydro-5-oxo-1,2,4-4H-oxadiazol...)
Show SMILES CCCCCCCCCCCCCCOC(COCCCCc1ccccc1)COc1ccc(cc1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C35H52N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-17-27-40-33(28-39-26-18-16-21-30-19-14-13-15-20-30)29-41-32-24-22-31(23-25-32)34-36-35(38)42-37-34/h13-15,19-20,22-25,33H,2-12,16-18,21,26-29H2,1H3,(H,36,37,38)
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n/an/a 290n/an/an/an/an/an/a



Université Paris7-Denis Diderot

Curated by ChEMBL


Assay Description
Inhibition of human group IIA PLA2 by fluorimetric assay

J Med Chem 50: 1618-26 (2007)


Article DOI: 10.1021/jm060082n
BindingDB Entry DOI: 10.7270/Q2TQ6174
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))		BDBM50509454
PNG
(CHEMBL4440413)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)Nc1ccccc1N)CC(=O)NCc1ccccc1
Show InChI InChI=1S/C30H37N5O3/c1-34(2)25-18-16-24(17-19-25)30(38)35(22-29(37)32-21-23-11-5-3-6-12-23)20-10-4-7-15-28(36)33-27-14-9-8-13-26(27)31/h3,5-6,8-9,11-14,16-19H,4,7,10,15,20-22,31H2,1-2H3,(H,32,37)(H,33,36)
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n/an/a 312n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) express...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50556456
PNG
(CHEMBL4779167)
Show SMILES Nc1ccccc1NC(=O)c1ccc(NC(=O)CCCNC(=O)CNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1
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n/an/a 320n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminal His/FLAG-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Boc-Lys(epsilon-Ac)-AMC as s...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112800
BindingDB Entry DOI: 10.7270/Q2FF3X1W
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))		BDBM50556455
PNG
(CHEMBL4740328)
Show SMILES Nc1ccccc1NC(=O)c1ccc(NC(=O)CCCCCCNC(=O)CNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1
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n/an/a 330n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculo...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112800
BindingDB Entry DOI: 10.7270/Q2FF3X1W
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))		BDBM50206905
PNG
((S)-3-(4-(2-(tetradecyloxy)-3-(trityloxy)propoxy)p...)
Show SMILES CCCCCCCCCCCCCCO[C@@H](COc1ccc(cc1)-c1nc(=O)o[nH]1)COC(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C44H54N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-22-33-48-41(34-49-40-31-29-36(30-32-40)42-45-43(47)51-46-42)35-50-44(37-23-16-13-17-24-37,38-25-18-14-19-26-38)39-27-20-15-21-28-39/h13-21,23-32,41H,2-12,22,33-35H2,1H3,(H,45,46,47)/t41-/m0/s1
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n/an/a 330n/an/an/an/an/an/a



Université Paris7-Denis Diderot

Curated by ChEMBL


Assay Description
Inhibition of human group IIA PLA2 by fluorimetric assay

J Med Chem 50: 1618-26 (2007)


Article DOI: 10.1021/jm060082n
BindingDB Entry DOI: 10.7270/Q2TQ6174
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50556454
PNG
(CHEMBL4758471)
Show SMILES Nc1ccccc1NC(=O)c1ccc(NC(=O)CCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1
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TBA

Assay Description
Inhibition of recombinant human C-terminal His/FLAG-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Boc-Lys(epsilon-Ac)-AMC as s...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112800
BindingDB Entry DOI: 10.7270/Q2FF3X1W
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))		BDBM50509456
PNG
(CHEMBL4451376)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)Nc1cc(F)ccc1N)CC(=O)NCc1ccccc1
Show InChI InChI=1S/C30H36FN5O3/c1-35(2)25-15-12-23(13-16-25)30(39)36(21-29(38)33-20-22-9-5-3-6-10-22)18-8-4-7-11-28(37)34-27-19-24(31)14-17-26(27)32/h3,5-6,9-10,12-17,19H,4,7-8,11,18,20-21,32H2,1-2H3,(H,33,38)(H,34,37)
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n/an/a 369n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) express...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))		BDBM50513380
PNG
(CHEMBL4438474)
Show SMILES Nc1ccccc1NC(=O)CCCCCNc1ccccc1
Show InChI InChI=1S/C18H23N3O/c19-16-11-6-7-12-17(16)21-18(22)13-5-2-8-14-20-15-9-3-1-4-10-15/h1,3-4,6-7,9-12,20H,2,5,8,13-14,19H2,(H,21,22)
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University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His-tagged HDAC3/NCOR2 using Boc-Lys-(epsilon-Ac)-AMC as fluorogenic substrate incubated for 90 mins by fl...

Eur J Med Chem 177: 457-466 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.038
BindingDB Entry DOI: 10.7270/Q2WS8XJ0
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM19410
PNG
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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n/an/a 410n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC2 using Boc-Lys-(epsilon-Ac)-AMC as fluorogenic substrate incubated for 90 mins by fluores...

Eur J Med Chem 177: 457-466 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.038
BindingDB Entry DOI: 10.7270/Q2WS8XJ0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50556452
PNG
(CHEMBL4763420)
Show SMILES Nc1ccccc1NC(=O)c1ccc(NC(=O)CCCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1
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TBA

Assay Description
Inhibition of recombinant human C-terminal His/FLAG-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Boc-Lys(epsilon-Ac)-AMC as s...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112800
BindingDB Entry DOI: 10.7270/Q2FF3X1W
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))		BDBM23771
PNG
((3-{[1-benzyl-3-(carbamoylmethyl)-2-ethyl-1H-indol...)
Show SMILES CCc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)ccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H27N2O5P/c1-2-20-19(14-22(23)25)18-13-17(29-11-6-12-30(26,27)28)9-10-21(18)24(20)15-16-7-4-3-5-8-16/h3-5,7-10,13H,2,6,11-12,14-15H2,1H3,(H2,23,25)(H2,26,27,28)
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n/an/a 470n/an/an/an/an/an/a



Université Paris7-Denis Diderot

Curated by ChEMBL


Assay Description
Inhibition of human group IIA PLA2 by fluorimetric assay

J Med Chem 50: 1618-26 (2007)


Article DOI: 10.1021/jm060082n
BindingDB Entry DOI: 10.7270/Q2TQ6174
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (Human))		BDBM50509446
PNG
(CHEMBL4541820)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1cc(F)ccc1N
Show InChI InChI=1S/C32H31FN4O3/c1-21-14-22(2)16-26(15-21)32(40)37(20-30(38)35-18-23-6-4-3-5-7-23)19-24-8-10-25(11-9-24)31(39)36-29-17-27(33)12-13-28(29)34/h3-17H,18-20,34H2,1-2H3,(H,35,38)(H,36,39)
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n/an/a 470n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and measure...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50509442
PNG
(CHEMBL4564332)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)Nc1cc(ccc1N)-c1ccccc1)CC(=O)NCc1ccccc1
Show InChI InChI=1S/C36H40N4O3/c1-26-20-27(2)22-31(21-26)36(43)40(25-35(42)38-24-28-12-6-3-7-13-28)19-11-5-10-16-34(41)39-33-23-30(17-18-32(33)37)29-14-8-4-9-15-29/h3-4,6-9,12-15,17-18,20-23H,5,10-11,16,19,24-25,37H2,1-2H3,(H,38,42)(H,39,41)
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Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and measure...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))		BDBM50509449
PNG
(CHEMBL4450805)
Show SMILES Cc1ccc(CNC(=O)CN(CCCCCC(=O)Nc2ccccc2N)C(=O)c2cc(C)cc(C)c2)cc1
Show InChI InChI=1S/C31H38N4O3/c1-22-12-14-25(15-13-22)20-33-30(37)21-35(31(38)26-18-23(2)17-24(3)19-26)16-8-4-5-11-29(36)34-28-10-7-6-9-27(28)32/h6-7,9-10,12-15,17-19H,4-5,8,11,16,20-21,32H2,1-3H3,(H,33,37)(H,34,36)
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Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) express...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50509450
PNG
(CHEMBL4474656)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C32H33N5O3/c1-36(2)27-18-16-26(17-19-27)32(40)37(22-30(38)34-20-23-8-4-3-5-9-23)21-24-12-14-25(15-13-24)31(39)35-29-11-7-6-10-28(29)33/h3-19H,20-22,33H2,1-2H3,(H,34,38)(H,35,39)
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n/an/a 480n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and measure...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))		BDBM50509453
PNG
(CHEMBL4456250)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)Nc1ccccc1N)CC(=O)NC1CCCCC1
Show InChI InChI=1S/C29H40N4O3/c1-21-17-22(2)19-23(18-21)29(36)33(20-28(35)31-24-11-5-3-6-12-24)16-10-4-7-15-27(34)32-26-14-9-8-13-25(26)30/h8-9,13-14,17-19,24H,3-7,10-12,15-16,20,30H2,1-2H3,(H,31,35)(H,32,34)
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Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) express...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50509451
PNG
(CHEMBL4444763)
Show SMILES Cc1cc(C)cc(CNC(=O)CN(CCCCCC(=O)Nc2ccccc2N)C(=O)c2cc(C)cc(C)c2)c1
Show InChI InChI=1S/C32H40N4O3/c1-22-14-23(2)17-26(16-22)20-34-31(38)21-36(32(39)27-18-24(3)15-25(4)19-27)13-9-5-6-12-30(37)35-29-11-8-7-10-28(29)33/h7-8,10-11,14-19H,5-6,9,12-13,20-21,33H2,1-4H3,(H,34,38)(H,35,37)
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Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50509452
PNG
(CHEMBL4459617)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C32H32N4O3/c1-22-16-23(2)18-27(17-22)32(39)36(21-30(37)34-19-24-8-4-3-5-9-24)20-25-12-14-26(15-13-25)31(38)35-29-11-7-6-10-28(29)33/h3-18H,19-21,33H2,1-2H3,(H,34,37)(H,35,38)
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Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilon-ace...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50513383
PNG
(CHEMBL4464169)
Show SMILES CN(Cc1ccc(cc1)C(=O)Nc1ccccc1N)c1ccccc1
Show InChI InChI=1S/C21H21N3O/c1-24(18-7-3-2-4-8-18)15-16-11-13-17(14-12-16)21(25)23-20-10-6-5-9-19(20)22/h2-14H,15,22H2,1H3,(H,23,25)
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University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC2 using Boc-Lys-(epsilon-Ac)-AMC as fluorogenic substrate incubated for 90 mins by fluores...

Eur J Med Chem 177: 457-466 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.038
BindingDB Entry DOI: 10.7270/Q2WS8XJ0
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM19410
PNG
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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n/an/a 505n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilon-ace...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
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