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Compile Data Set for Download or QSAR

Found 72 hits of ic50 data for polymerid = 50006411   
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
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50544215
PNG
(CHEMBL4637689)
Show SMILES CN1CC(C1)C(=O)N[C@@H](CCCCCC(=O)c1cc(C)on1)c1ncc([nH]1)-c1ccccc1F |r|
Show InChI InChI=1S/C25H30FN5O3/c1-16-12-21(30-34-16)23(32)11-5-3-4-10-20(29-25(33)17-14-31(2)15-17)24-27-13-22(28-24)18-8-6-7-9-19(18)26/h6-9,12-13,17,20H,3-5,10-11,14-15H2,1-2H3,(H,27,28)(H,29,33)/t20-/m0/s1
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n/an/a 0.0700n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant FLAG-tagged HDAC3/His6-tagged SMRT (1 to 899 residues) expressed in HEK293F cells using FLUOR DE LYS as s...

ACS Med Chem Lett 11: 1476-1483 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00302
BindingDB Entry DOI: 10.7270/Q2RV0S85
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50544211
PNG
(CHEMBL4641682)
Show SMILES CN1CC(C1)C(=O)N[C@@H](CCCCCC(=O)c1ccon1)c1ncc([nH]1)-c1ccccc1F |r|
Show InChI InChI=1S/C24H28FN5O3/c1-30-14-16(15-30)24(32)28-20(9-3-2-4-10-22(31)19-11-12-33-29-19)23-26-13-21(27-23)17-7-5-6-8-18(17)25/h5-8,11-13,16,20H,2-4,9-10,14-15H2,1H3,(H,26,27)(H,28,32)/t20-/m0/s1
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n/an/a 0.0870n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant FLAG-tagged HDAC3/His6-tagged SMRT (1 to 899 residues) expressed in HEK293F cells using FLUOR DE LYS as s...

ACS Med Chem Lett 11: 1476-1483 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00302
BindingDB Entry DOI: 10.7270/Q2RV0S85
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50544227
PNG
(CHEMBL4634501)
Show SMILES CN1CC(C1)C(=O)N[C@@H](CCCCCC(=O)c1ccon1)c1ncc(o1)-c1ccccc1F |r|
Show InChI InChI=1S/C24H27FN4O4/c1-29-14-16(15-29)23(31)27-20(9-3-2-4-10-21(30)19-11-12-32-28-19)24-26-13-22(33-24)17-7-5-6-8-18(17)25/h5-8,11-13,16,20H,2-4,9-10,14-15H2,1H3,(H,27,31)/t20-/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant FLAG-tagged HDAC3/His6-tagged SMRT (1 to 899 residues) expressed in HEK293F cells using FLUOR DE LYS as s...

ACS Med Chem Lett 11: 1476-1483 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00302
BindingDB Entry DOI: 10.7270/Q2RV0S85
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50286578
PNG
(CHEMBL4170617)
Show SMILES CC(C)CCN(CCCCCCC(=O)NO)c1ncc(s1)C(=O)NCCCn1ccnc1
Show InChI InChI=1S/C22H36N6O3S/c1-18(2)9-14-28(13-6-4-3-5-8-20(29)26-31)22-25-16-19(32-22)21(30)24-10-7-12-27-15-11-23-17-27/h11,15-18,31H,3-10,12-14H2,1-2H3,(H,24,30)(H,26,29)
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n/an/a 0.670n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3/GST-tagged NCOR1 DAD (397 to 503 residues) expressed in baculovirus expression system after 30 mins by fluoresc...

ACS Med Chem Lett 9: 34-38 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00414
BindingDB Entry DOI: 10.7270/Q2CZ39PH
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50544217
PNG
(CHEMBL4644307)
Show SMILES N[C@@H](CCCCCC(=O)c1ccon1)c1ncc([nH]1)-c1ccccc1F |r|
Show InChI InChI=1S/C19H21FN4O2/c20-14-7-5-4-6-13(14)17-12-22-19(23-17)15(21)8-2-1-3-9-18(25)16-10-11-26-24-16/h4-7,10-12,15H,1-3,8-9,21H2,(H,22,23)/t15-/m0/s1
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Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant FLAG-tagged HDAC3/His6-tagged SMRT (1 to 899 residues) expressed in HEK293F cells using FLUOR DE LYS as s...

ACS Med Chem Lett 11: 1476-1483 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00302
BindingDB Entry DOI: 10.7270/Q2RV0S85
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50544213
PNG
(CHEMBL4647458)
Show SMILES CN1CCC(CC1)C(=O)N[C@@H](CCCCCC(=O)c1nccs1)c1ncc([nH]1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H32FN5O2S/c1-32-14-11-19(12-15-32)25(34)31-21(5-3-2-4-6-23(33)26-28-13-16-35-26)24-29-17-22(30-24)18-7-9-20(27)10-8-18/h7-10,13,16-17,19,21H,2-6,11-12,14-15H2,1H3,(H,29,30)(H,31,34)/t21-/m0/s1
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Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant FLAG-tagged HDAC3/His6-tagged SMRT (1 to 899 residues) expressed in HEK293F cells using FLUOR DE LYS as s...

ACS Med Chem Lett 11: 1476-1483 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00302
BindingDB Entry DOI: 10.7270/Q2RV0S85
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50544212
PNG
(CHEMBL4632775)
Show SMILES CN1CC(C1)C(=O)N[C@@H](CCCCCC(=O)c1ncco1)c1ncc([nH]1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H28FN5O3/c1-30-14-17(15-30)23(32)29-19(5-3-2-4-6-21(31)24-26-11-12-33-24)22-27-13-20(28-22)16-7-9-18(25)10-8-16/h7-13,17,19H,2-6,14-15H2,1H3,(H,27,28)(H,29,32)/t19-/m0/s1
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Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant FLAG-tagged HDAC3/His6-tagged SMRT (1 to 899 residues) expressed in HEK293F cells using FLUOR DE LYS as s...

ACS Med Chem Lett 11: 1476-1483 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00302
BindingDB Entry DOI: 10.7270/Q2RV0S85
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50544223
PNG
(CHEMBL4637836)
Show SMILES N[C@@H](CCCCCC(=O)c1ccon1)c1cc(on1)-c1ccccc1F |r|
Show InChI InChI=1S/C19H20FN3O3/c20-14-7-5-4-6-13(14)19-12-17(23-26-19)15(21)8-2-1-3-9-18(24)16-10-11-25-22-16/h4-7,10-12,15H,1-3,8-9,21H2/t15-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant FLAG-tagged HDAC3/His6-tagged SMRT (1 to 899 residues) expressed in HEK293F cells using FLUOR DE LYS as s...

ACS Med Chem Lett 11: 1476-1483 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00302
BindingDB Entry DOI: 10.7270/Q2RV0S85
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50286560
PNG
(CHEMBL4163681)
Show SMILES ONC(=O)CCCCCCN(Cc1ccc(F)cc1)c1ncc(s1)C(=O)NCCCn1ccnc1
Show InChI InChI=1S/C24H31FN6O3S/c25-20-9-7-19(8-10-20)17-31(14-4-2-1-3-6-22(32)29-34)24-28-16-21(35-24)23(33)27-11-5-13-30-15-12-26-18-30/h7-10,12,15-16,18,34H,1-6,11,13-14,17H2,(H,27,33)(H,29,32)
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n/an/a 4.10n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3/GST-tagged NCOR1 DAD (397 to 503 residues) expressed in baculovirus expression system after 30 mins by fluoresc...

ACS Med Chem Lett 9: 34-38 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00414
BindingDB Entry DOI: 10.7270/Q2CZ39PH
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 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 9.80n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3/GST-tagged NCOR1 DAD (397 to 503 residues) expressed in baculovirus expression system after 30 mins by fluoresc...

ACS Med Chem Lett 9: 34-38 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00414
BindingDB Entry DOI: 10.7270/Q2CZ39PH
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50437809
PNG
(CHEMBL2407717)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@H](CS2)c2ccccc2)cc1 |r,w:15.15|
Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...

J Med Chem 56: 6156-74 (2013)


Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50437812
PNG
(CHEMBL2407723)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2NC[C@@H](S2)c2ccccc2)cc1 |r,w:15.15|
Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)27-22(28)18-12-10-16(11-13-18)14-25-23-26-15-21(29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,26)(H,27,28)/t21-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...

J Med Chem 56: 6156-74 (2013)


Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50544226
PNG
(CHEMBL4632449)
Show SMILES N[C@@H](CCCCCC(=O)c1ccon1)c1cnn(c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C19H21FN4O2/c20-15-6-8-16(9-7-15)24-13-14(12-22-24)17(21)4-2-1-3-5-19(25)18-10-11-26-23-18/h6-13,17H,1-5,21H2/t17-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant FLAG-tagged HDAC3/His6-tagged SMRT (1 to 899 residues) expressed in HEK293F cells using FLUOR DE LYS as s...

ACS Med Chem Lett 11: 1476-1483 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00302
BindingDB Entry DOI: 10.7270/Q2RV0S85
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50437821
PNG
(CHEMBL2407736)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc(c(O)[nH]2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H21N5O2/c24-18-8-4-5-9-19(18)26-21(29)17-12-10-15(11-13-17)14-25-23-27-20(22(30)28-23)16-6-2-1-3-7-16/h1-13,30H,14,24H2,(H,26,29)(H2,25,27,28)
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n/an/a 14n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...

J Med Chem 56: 6156-74 (2013)


Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50544225
PNG
(CHEMBL4641904)
Show SMILES N[C@@H](CCCCCC(=O)c1ccon1)c1ccn(n1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C19H21FN4O2/c20-14-6-8-15(9-7-14)24-12-10-17(22-24)16(21)4-2-1-3-5-19(25)18-11-13-26-23-18/h6-13,16H,1-5,21H2/t16-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant FLAG-tagged HDAC3/His6-tagged SMRT (1 to 899 residues) expressed in HEK293F cells using FLUOR DE LYS as s...

ACS Med Chem Lett 11: 1476-1483 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00302
BindingDB Entry DOI: 10.7270/Q2RV0S85
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50437816
PNG
(CHEMBL2407719)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@H](CS2)c2ccc(O)cc2)cc1 |r,w:15.15|
Show InChI InChI=1S/C23H22N4O2S/c24-19-3-1-2-4-20(19)26-22(29)17-7-5-15(6-8-17)13-25-23-27-21(14-30-23)16-9-11-18(28)12-10-16/h1-12,21,28H,13-14,24H2,(H,25,27)(H,26,29)/t21-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...

J Med Chem 56: 6156-74 (2013)


Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50361170
PNG
(CHEMBL4159366)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCCCCCCCC(=O)NO)n1
Show InChI InChI=1S/C31H41N7O5S/c1-44(42,43)37-26-10-8-23(9-11-26)28-16-20-33-31(35-28)34-25-12-14-27(15-13-25)38-21-17-24(18-22-38)30(40)32-19-6-4-2-3-5-7-29(39)36-41/h8-16,20,24,37,41H,2-7,17-19,21-22H2,1H3,(H,32,40)(H,36,39)(H,33,34,35)
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n/an/a 17n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3/GST-tagged NCOR1 (397 to 503 residues) co-expressed in insect cells using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate ...

J Med Chem 61: 6056-6074 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00393
BindingDB Entry DOI: 10.7270/Q2RN3BDN
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50544224
PNG
(CHEMBL4644721)
Show SMILES N[C@@H](CCCCCC(=O)c1ccon1)c1cnn(n1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H20FN5O2/c19-13-6-8-14(9-7-13)24-21-12-17(22-24)15(20)4-2-1-3-5-18(25)16-10-11-26-23-16/h6-12,15H,1-5,20H2/t15-/m0/s1
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Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant FLAG-tagged HDAC3/His6-tagged SMRT (1 to 899 residues) expressed in HEK293F cells using FLUOR DE LYS as s...

ACS Med Chem Lett 11: 1476-1483 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00302
BindingDB Entry DOI: 10.7270/Q2RV0S85
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50544228
PNG
(CHEMBL4647164)
Show SMILES CN1CC(C1)C(=O)N[C@@H](CCCCCC(=O)c1ccon1)c1nnc(o1)-c1ccccc1F |r|
Show InChI InChI=1S/C23H26FN5O4/c1-29-13-15(14-29)21(31)25-19(9-3-2-4-10-20(30)18-11-12-32-28-18)23-27-26-22(33-23)16-7-5-6-8-17(16)24/h5-8,11-12,15,19H,2-4,9-10,13-14H2,1H3,(H,25,31)/t19-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant FLAG-tagged HDAC3/His6-tagged SMRT (1 to 899 residues) expressed in HEK293F cells using FLUOR DE LYS as s...

ACS Med Chem Lett 11: 1476-1483 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00302
BindingDB Entry DOI: 10.7270/Q2RV0S85
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50437813
PNG
(CHEMBL2407722)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2NC[C@H](S2)c2ccccc2)cc1 |r,w:15.15|
Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)27-22(28)18-12-10-16(11-13-18)14-25-23-26-15-21(29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,26)(H,27,28)/t21-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...

J Med Chem 56: 6156-74 (2013)


Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50437822
PNG
(CHEMBL2407735)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc(O)c(Cc3ccccc3)[nH]2)cc1
Show InChI InChI=1S/C24H23N5O2/c25-19-8-4-5-9-20(19)27-22(30)18-12-10-17(11-13-18)15-26-24-28-21(23(31)29-24)14-16-6-2-1-3-7-16/h1-13,31H,14-15,25H2,(H,27,30)(H2,26,28,29)
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n/an/a 30n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...

J Med Chem 56: 6156-74 (2013)


Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50437827
PNG
(CHEMBL2407730)
Show SMILES ONC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C17H15N5O2/c23-16(22-24)13-5-3-12(4-6-13)10-20-17-19-9-7-15(21-17)14-2-1-8-18-11-14/h1-9,11,24H,10H2,(H,22,23)(H,19,20,21)
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n/an/a 31n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...

J Med Chem 56: 6156-74 (2013)


Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50437814
PNG
(CHEMBL2407721)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@H](Cc3ccccc3)CS2)cc1 |r,w:15.15|
Show InChI InChI=1S/C24H24N4OS/c25-21-8-4-5-9-22(21)28-23(29)19-12-10-18(11-13-19)15-26-24-27-20(16-30-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,26,27)(H,28,29)/t20-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...

J Med Chem 56: 6156-74 (2013)


Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50437826
PNG
(CHEMBL2407731)
Show SMILES CC(C)(C)OC(=O)n1c(NCc2ccc(cc2)C(=O)Nc2ccccc2N)nc(O)c1Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C31H32N6O4/c1-31(2,3)41-30(40)37-26(16-21-18-33-24-10-6-4-8-22(21)24)28(39)36-29(37)34-17-19-12-14-20(15-13-19)27(38)35-25-11-7-5-9-23(25)32/h4-15,18,33,39H,16-17,32H2,1-3H3,(H,34,36)(H,35,38)
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n/an/a 40n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...

J Med Chem 56: 6156-74 (2013)


Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50361177
PNG
(CHEMBL4160840)
Show SMILES ONC(=O)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C21H21N5O3/c27-20(25-28)16-3-1-15(2-4-16)19-9-10-22-21(24-19)23-17-5-7-18(8-6-17)26-11-13-29-14-12-26/h1-10,28H,11-14H2,(H,25,27)(H,22,23,24)
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n/an/a 45n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3/GST-tagged NCOR1 (397 to 503 residues) co-expressed in insect cells using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate ...

J Med Chem 61: 6056-6074 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00393
BindingDB Entry DOI: 10.7270/Q2RN3BDN
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50544214
PNG
(CHEMBL4633968)
Show SMILES CN1CCC(CC1)C(=O)N[C@@H](CCCCCC(=O)c1nc(C)co1)c1ncc([nH]1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H34FN5O3/c1-18-17-36-27(30-18)24(34)7-5-3-4-6-22(32-26(35)20-12-14-33(2)15-13-20)25-29-16-23(31-25)19-8-10-21(28)11-9-19/h8-11,16-17,20,22H,3-7,12-15H2,1-2H3,(H,29,31)(H,32,35)/t22-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant FLAG-tagged HDAC3/His6-tagged SMRT (1 to 899 residues) expressed in HEK293F cells using FLUOR DE LYS as s...

ACS Med Chem Lett 11: 1476-1483 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00302
BindingDB Entry DOI: 10.7270/Q2RV0S85
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 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 51n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3/GST tagged NCOR1 (397 to 503 residues) expressed in insect cells using Ac-Leu-Gly-Lys(Ac)-AMC as substrate prei...

J Med Chem 60: 7965-7983 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00467
BindingDB Entry DOI: 10.7270/Q2VM4FDV
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50437815
PNG
(CHEMBL2407720)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@@H](Cc3ccccc3)CS2)cc1 |r,w:15.15|
Show InChI InChI=1S/C24H24N4OS/c25-21-8-4-5-9-22(21)28-23(29)19-12-10-18(11-13-19)15-26-24-27-20(16-30-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,26,27)(H,28,29)/t20-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...

J Med Chem 56: 6156-74 (2013)


Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 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 54n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-fused HDAC3/NCOR1 (397 to 503 residues) expressed in baculovirus infected insect cells using Ac-Leu-Gly-Lys(Ac)-A...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112648
BindingDB Entry DOI: 10.7270/Q2Z323DQ
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50437818
PNG
(CHEMBL2407716)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@H](CS2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1S/C23H21N3OS2/c24-19-8-4-5-9-20(19)25-22(27)18-12-10-16(11-13-18)14-28-23-26-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)/t21-/m1/s1
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n/an/a 63n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...

J Med Chem 56: 6156-74 (2013)


Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50437825
PNG
(CHEMBL2407732)
Show SMILES CC(=O)n1c(NCc2ccc(cc2)C(=O)Nc2ccccc2N)nc(O)c1Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C28H26N6O3/c1-17(35)34-25(14-20-16-30-23-8-4-2-6-21(20)23)27(37)33-28(34)31-15-18-10-12-19(13-11-18)26(36)32-24-9-5-3-7-22(24)29/h2-13,16,30,37H,14-15,29H2,1H3,(H,31,33)(H,32,36)
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n/an/a 70n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...

J Med Chem 56: 6156-74 (2013)


Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50437817
PNG
(CHEMBL2407718)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@@H](CS2)c2ccccc2)cc1 |r,w:15.15|
Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...

J Med Chem 56: 6156-74 (2013)


Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50565547
PNG
(CHEMBL4781177)
Show SMILES COc1cc(OC)c2c(nc(nc2c1)-c1cc(C)c(OCCCCCC(=O)NO)c(C)c1)N1CCN(C)CC1
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n/an/a 79n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-fused HDAC3/NCOR1 (397 to 503 residues) expressed in baculovirus infected insect cells using Ac-Leu-Gly-Lys(Ac)-A...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112648
BindingDB Entry DOI: 10.7270/Q2Z323DQ
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50437823
PNG
(CHEMBL2407734)
Show SMILES CC(=O)n1c(NCc2ccc(cc2)C(=O)Nc2ccccc2N)nc(O)c1Cc1ccccc1
Show InChI InChI=1S/C26H25N5O3/c1-17(32)31-23(15-18-7-3-2-4-8-18)25(34)30-26(31)28-16-19-11-13-20(14-12-19)24(33)29-22-10-6-5-9-21(22)27/h2-14,34H,15-16,27H2,1H3,(H,28,30)(H,29,33)
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n/an/a 83n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...

J Med Chem 56: 6156-74 (2013)


Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50544221
PNG
(CHEMBL4639586)
Show SMILES COc1nc2ccccc2cc1-c1cnc([nH]1)[C@@H](N)CCCCCC(=O)c1cnoc1C |r|
Show InChI InChI=1S/C24H27N5O3/c1-15-18(13-27-32-15)22(30)11-5-3-4-9-19(25)23-26-14-21(28-23)17-12-16-8-6-7-10-20(16)29-24(17)31-2/h6-8,10,12-14,19H,3-5,9,11,25H2,1-2H3,(H,26,28)/t19-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant FLAG-tagged HDAC3/His6-tagged SMRT (1 to 899 residues) expressed in HEK293F cells using FLUOR DE LYS as s...

ACS Med Chem Lett 11: 1476-1483 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00302
BindingDB Entry DOI: 10.7270/Q2RV0S85
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50437824
PNG
(CHEMBL2407733)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc(O)c(Cc3c[nH]c4ccccc34)[nH]2)cc1
Show InChI InChI=1S/C26H24N6O2/c27-20-6-2-4-8-22(20)30-24(33)17-11-9-16(10-12-17)14-29-26-31-23(25(34)32-26)13-18-15-28-21-7-3-1-5-19(18)21/h1-12,15,28,34H,13-14,27H2,(H,30,33)(H2,29,31,32)
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n/an/a 104n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...

J Med Chem 56: 6156-74 (2013)


Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50565548
PNG
(CHEMBL4790998)
Show SMILES COc1cc(OC)c2c(nc(nc2c1)-c1cc(C)c(OCCCCCC(=O)NO)c(C)c1)N1CCS(=O)(=O)CC1
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n/an/a 106n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-fused HDAC3/NCOR1 (397 to 503 residues) expressed in baculovirus infected insect cells using Ac-Leu-Gly-Lys(Ac)-A...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112648
BindingDB Entry DOI: 10.7270/Q2Z323DQ
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50437833
PNG
(CHEMBL2407742)
Show SMILES COc1ccc(NC(=O)c2ccc(CNc3nccc(n3)-c3cccnc3)cc2)c(N)c1
Show InChI InChI=1S/C24H22N6O2/c1-32-19-8-9-22(20(25)13-19)29-23(31)17-6-4-16(5-7-17)14-28-24-27-12-10-21(30-24)18-3-2-11-26-15-18/h2-13,15H,14,25H2,1H3,(H,29,31)(H,27,28,30)
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n/an/a 111n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...

J Med Chem 56: 6156-74 (2013)


Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50544222
PNG
(CHEMBL4646763)
Show SMILES COc1nc2ccccc2cc1-c1cnc([nH]1)[C@@H](N)CCCCCC(=O)c1ncc(CO)o1 |r|
Show InChI InChI=1S/C24H27N5O4/c1-32-23-17(11-15-7-5-6-9-19(15)29-23)20-13-26-22(28-20)18(25)8-3-2-4-10-21(31)24-27-12-16(14-30)33-24/h5-7,9,11-13,18,30H,2-4,8,10,14,25H2,1H3,(H,26,28)/t18-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant FLAG-tagged HDAC3/His6-tagged SMRT (1 to 899 residues) expressed in HEK293F cells using FLUOR DE LYS as s...

ACS Med Chem Lett 11: 1476-1483 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00302
BindingDB Entry DOI: 10.7270/Q2RV0S85
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50525180
PNG
(CHEMBL4446236)
Show SMILES COc1ccc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1
Show InChI InChI=1S/C21H20N2O2S/c1-25-17-10-12-18(13-11-17)26-14-15-6-8-16(9-7-15)21(24)23-20-5-3-2-4-19(20)22/h2-13H,14,22H2,1H3,(H,23,24)
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n/an/a 136n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3/NCOR1 assessed as decrease in deacetylation of FLUOR DE LYS SIRT1 substrate preincubated for 10 mins followed b...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50544218
PNG
(CHEMBL4636534)
Show SMILES N[C@@H](CCCCCC(=O)c1cocn1)c1ncc([nH]1)-c1ccccc1F |r|
Show InChI InChI=1S/C19H21FN4O2/c20-14-7-5-4-6-13(14)16-10-22-19(24-16)15(21)8-2-1-3-9-18(25)17-11-26-12-23-17/h4-7,10-12,15H,1-3,8-9,21H2,(H,22,24)/t15-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant FLAG-tagged HDAC3/His6-tagged SMRT (1 to 899 residues) expressed in HEK293F cells using FLUOR DE LYS as s...

ACS Med Chem Lett 11: 1476-1483 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00302
BindingDB Entry DOI: 10.7270/Q2RV0S85
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50525179
PNG
(CHEMBL4450474)
Show SMILES CCc1ccc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1
Show InChI InChI=1S/C22H22N2OS/c1-2-16-9-13-19(14-10-16)26-15-17-7-11-18(12-8-17)22(25)24-21-6-4-3-5-20(21)23/h3-14H,2,15,23H2,1H3,(H,24,25)
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n/an/a 215n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3/NCOR1 assessed as decrease in deacetylation of FLUOR DE LYS SIRT1 substrate preincubated for 10 mins followed b...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50544219
PNG
(CHEMBL4644575)
Show SMILES COc1nc2ccccc2cc1-c1cnc([nH]1)[C@@H](N)CCCCCC(=O)c1cc[nH]n1 |r|
Show InChI InChI=1S/C23H26N6O2/c1-31-23-16(13-15-7-5-6-9-18(15)28-23)20-14-25-22(27-20)17(24)8-3-2-4-10-21(30)19-11-12-26-29-19/h5-7,9,11-14,17H,2-4,8,10,24H2,1H3,(H,25,27)(H,26,29)/t17-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant FLAG-tagged HDAC3/His6-tagged SMRT (1 to 899 residues) expressed in HEK293F cells using FLUOR DE LYS as s...

ACS Med Chem Lett 11: 1476-1483 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00302
BindingDB Entry DOI: 10.7270/Q2RV0S85
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50242817
PNG
(CHEMBL4087968)
Show SMILES Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+
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n/an/a 234n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3/NCOR1 assessed as decrease in deacetylation of FLUOR DE LYS SIRT1 substrate preincubated for 10 mins followed b...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50361171
PNG
(CHEMBL4175555)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)Nc2ccc(\C=C\C(=O)NO)cc2)n1
Show InChI InChI=1S/C32H33N7O5S/c1-45(43,44)38-27-9-5-23(6-10-27)29-16-19-33-32(36-29)35-26-11-13-28(14-12-26)39-20-17-24(18-21-39)31(41)34-25-7-2-22(3-8-25)4-15-30(40)37-42/h2-16,19,24,38,42H,17-18,20-21H2,1H3,(H,34,41)(H,37,40)(H,33,35,36)/b15-4+
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n/an/a 234n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3/GST-tagged NCOR1 (397 to 503 residues) co-expressed in insect cells using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate ...

J Med Chem 61: 6056-6074 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00393
BindingDB Entry DOI: 10.7270/Q2RN3BDN
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50121210
PNG
(CHEMBL3622374)
Show SMILES Nc1ccccc1NC(=O)c1ccc(cc1)-c1cn(CCc2ccsc2)nn1
Show InChI InChI=1S/C21H19N5OS/c22-18-3-1-2-4-19(18)23-21(27)17-7-5-16(6-8-17)20-13-26(25-24-20)11-9-15-10-12-28-14-15/h1-8,10,12-14H,9,11,22H2,(H,23,27)
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n/an/a 240n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3/GST-tagged NCOR1 DAD (397 to 503 residues) expressed in baculovirus expression system using Fluor de Lys as sub...

J Med Chem 62: 9375-9414 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00359
BindingDB Entry DOI: 10.7270/Q2BR8WFX
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50121210
PNG
(CHEMBL3622374)
Show SMILES Nc1ccccc1NC(=O)c1ccc(cc1)-c1cn(CCc2ccsc2)nn1
Show InChI InChI=1S/C21H19N5OS/c22-18-3-1-2-4-19(18)23-21(27)17-7-5-16(6-8-17)20-13-26(25-24-20)11-9-15-10-12-28-14-15/h1-8,10,12-14H,9,11,22H2,(H,23,27)
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n/an/a 240n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3/GST-tagged NCOR1 DAD (397 to 503 residues) expressed in baculovirus expression system by fluorescence assay

Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50121211
PNG
(CHEMBL3622375)
Show SMILES Nc1ccccc1NC(=O)c1ccc(s1)-c1cn(CCc2cccc(c2)[N+]([O-])=O)nn1
Show InChI InChI=1S/C21H18N6O3S/c22-16-6-1-2-7-17(16)23-21(28)20-9-8-19(31-20)18-13-26(25-24-18)11-10-14-4-3-5-15(12-14)27(29)30/h1-9,12-13H,10-11,22H2,(H,23,28)
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n/an/a 260n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3/GST-tagged NCOR1 DAD (397 to 503 residues) expressed in baculovirus expression system using Fluor de Lys as sub...

J Med Chem 62: 9375-9414 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00359
BindingDB Entry DOI: 10.7270/Q2BR8WFX
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50121211
PNG
(CHEMBL3622375)
Show SMILES Nc1ccccc1NC(=O)c1ccc(s1)-c1cn(CCc2cccc(c2)[N+]([O-])=O)nn1
Show InChI InChI=1S/C21H18N6O3S/c22-16-6-1-2-7-17(16)23-21(28)20-9-8-19(31-20)18-13-26(25-24-18)11-10-14-4-3-5-15(12-14)27(29)30/h1-9,12-13H,10-11,22H2,(H,23,28)
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n/an/a 260n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3/GST-tagged NCOR1 DAD (397 to 503 residues) expressed in baculovirus expression system by fluorescence assay

Eur J Med Chem 166: 369-380 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.077
BindingDB Entry DOI: 10.7270/Q2K93BZT
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50525178
PNG
(CHEMBL4437852)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSc2nccc(n2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H15F3N4OS/c20-19(21,22)16-9-10-24-18(26-16)28-11-12-5-7-13(8-6-12)17(27)25-15-4-2-1-3-14(15)23/h1-10H,11,23H2,(H,25,27)
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n/an/a 274n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3/NCOR1 assessed as decrease in deacetylation of FLUOR DE LYS SIRT1 substrate preincubated for 10 mins followed b...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
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