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Compile Data Set for Download or QSAR

Found 51 hits of ic50 for UniProtKB: A0A024RD47   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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))
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))
BDBM50437812
PNG
(CHEMBL2407723)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2NC[C@@H](S2)c2ccccc2)cc1
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))
BDBM50437809
PNG
(CHEMBL2407717)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@H](CS2)c2ccccc2)cc1
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))
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))
BDBM50437816
PNG
(CHEMBL2407719)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@H](CS2)c2ccc(O)cc2)cc1
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
Histone deacetylase 3/NCoR1


(Homo sapiens (Human))
BDBM24624
PNG
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)
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n/an/a 22n/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))
BDBM50437813
PNG
(CHEMBL2407722)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2NC[C@H](S2)c2ccccc2)cc1
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
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))
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
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))
BDBM50437818
PNG
(CHEMBL2407716)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@H](CS2)c2ccccc2)cc1
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
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))
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))
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))
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))
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
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
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
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



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
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
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
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
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(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



Universit£ de Reims Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human full length C-terminal His-tagged HDAC3/N-terminal GST-tagged human NCOR2 co-expressed in baculovirus infected Sf9 insect cells a...


J Med Chem 61: 1745-1766 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00115
BindingDB Entry DOI: 10.7270/Q2FT8PGH
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
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))
BDBM50437811
PNG
(CHEMBL2407724)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@@H]([C@H](S2)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C29H26N4OS/c30-24-13-7-8-14-25(24)32-28(34)23-17-15-20(16-18-23)19-31-29-33-26(21-9-3-1-4-10-21)27(35-29)22-11-5-2-6-12-22/h1-18,26-27H,19,30H2,(H,31,33)(H,32,34)/t26-,27-/m1/s1
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n/an/a 287n/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))
BDBM50525181
PNG
(CHEMBL4437865)
Show SMILES Cc1cc(C)cc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)c1
Show InChI InChI=1S/C22H22N2OS/c1-15-11-16(2)13-19(12-15)26-14-17-7-9-18(10-8-17)22(25)24-21-6-4-3-5-20(21)23/h3-13H,14,23H2,1-2H3,(H,24,25)
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n/an/a 381n/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
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))
BDBM50437810
PNG
(CHEMBL2407725)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@H]([C@@H](S2)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C29H26N4OS/c30-24-13-7-8-14-25(24)32-28(34)23-17-15-20(16-18-23)19-31-29-33-26(21-9-3-1-4-10-21)27(35-29)22-11-5-2-6-12-22/h1-18,26-27H,19,30H2,(H,31,33)(H,32,34)/t26-,27-/m0/s1
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n/an/a 388n/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))
BDBM50437819
PNG
(CHEMBL2407738)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@@H](Cc3ccccc3)CS2)cc1
Show InChI InChI=1S/C24H23N3OS2/c25-21-8-4-5-9-22(21)27-23(28)19-12-10-18(11-13-19)15-29-24-26-20(16-30-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,27,28)/t20-/m0/s1
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n/an/a 509n/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))
BDBM50437836
PNG
(CHEMBL2407739)
Show SMILES Nc1cc2ccccc2cc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C27H22N6O/c28-23-14-20-4-1-2-5-21(20)15-25(23)32-26(34)19-9-7-18(8-10-19)16-31-27-30-13-11-24(33-27)22-6-3-12-29-17-22/h1-15,17H,16,28H2,(H,32,34)(H,30,31,33)
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n/an/a 630n/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))
BDBM50437832
PNG
(CHEMBL2407743)
Show SMILES Nc1cc(O)ccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C23H20N6O2/c24-19-12-18(30)7-8-21(19)28-22(31)16-5-3-15(4-6-16)13-27-23-26-11-9-20(29-23)17-2-1-10-25-14-17/h1-12,14,30H,13,24H2,(H,28,31)(H,26,27,29)
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n/an/a 719n/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))
BDBM50437820
PNG
(CHEMBL2407737)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@@H](Cc3c[nH]c4ccccc34)CS2)cc1
Show InChI InChI=1S/C26H24N4OS2/c27-22-6-2-4-8-24(22)30-25(31)18-11-9-17(10-12-18)15-32-26-29-20(16-33-26)13-19-14-28-23-7-3-1-5-21(19)23/h1-12,14,20,28H,13,15-16,27H2,(H,30,31)/t20-/m0/s1
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n/an/a 890n/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))
BDBM50241438
PNG
(CHEMBL4065412)
Show SMILES Nc1ccccc1NC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)C(=O)NCc2cccnc2)cc1
Show InChI InChI=1S/C29H25N7O2/c30-25-5-1-2-6-26(25)33-29(38)24-9-7-20(8-10-24)18-36-19-27(34-35-36)22-11-13-23(14-12-22)28(37)32-17-21-4-3-15-31-16-21/h1-16,19H,17-18,30H2,(H,32,37)(H,33,38)
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n/an/a 1.87E+3n/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))
BDBM50437834
PNG
(CHEMBL2407741)
Show SMILES Nc1cc(Br)ccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C23H19BrN6O/c24-18-7-8-21(19(25)12-18)29-22(31)16-5-3-15(4-6-16)13-28-23-27-11-9-20(30-23)17-2-1-10-26-14-17/h1-12,14H,13,25H2,(H,29,31)(H,27,28,30)
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n/an/a 4.72E+3n/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))
BDBM50437830
PNG
(CHEMBL2407727)
Show SMILES Nc1cc(CO)ccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C24H22N6O2/c25-20-12-17(15-31)5-8-22(20)29-23(32)18-6-3-16(4-7-18)13-28-24-27-11-9-21(30-24)19-2-1-10-26-14-19/h1-12,14,31H,13,15,25H2,(H,29,32)(H,27,28,30)
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n/an/a>2.00E+4n/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))
BDBM50437831
PNG
(CHEMBL2407726)
Show SMILES CC(C)(C)[Si](C)(C)OCc1ccc(NC(=O)c2ccc(CNc3nccc(n3)-c3cccnc3)cc2)c(N)c1
Show InChI InChI=1S/C30H36N6O2Si/c1-30(2,3)39(4,5)38-20-22-10-13-27(25(31)17-22)35-28(37)23-11-8-21(9-12-23)18-34-29-33-16-14-26(36-29)24-7-6-15-32-19-24/h6-17,19H,18,20,31H2,1-5H3,(H,35,37)(H,33,34,36)
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n/an/a>2.00E+4n/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))
BDBM50437828
PNG
(CHEMBL2407729)
Show SMILES Nc1cc(ccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1)C(O)=O
Show InChI InChI=1S/C24H20N6O3/c25-19-12-17(23(32)33)7-8-21(19)29-22(31)16-5-3-15(4-6-16)13-28-24-27-11-9-20(30-24)18-2-1-10-26-14-18/h1-12,14H,13,25H2,(H,29,31)(H,32,33)(H,27,28,30)
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n/an/a>2.00E+4n/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))
BDBM50437829
PNG
(CHEMBL2407728)
Show SMILES Nc1cc(ccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C31H26N6O3/c32-26-17-24(30(39)40-20-22-5-2-1-3-6-22)12-13-28(26)36-29(38)23-10-8-21(9-11-23)18-35-31-34-16-14-27(37-31)25-7-4-15-33-19-25/h1-17,19H,18,20,32H2,(H,36,38)(H,34,35,37)
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n/an/a>2.00E+4n/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))
BDBM50437835
PNG
(CHEMBL2407740)
Show SMILES Nc1cc(ccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1)-c1ccccc1
Show InChI InChI=1S/C29H24N6O/c30-25-17-23(21-5-2-1-3-6-21)12-13-27(25)34-28(36)22-10-8-20(9-11-22)18-33-29-32-16-14-26(35-29)24-7-4-15-31-19-24/h1-17,19H,18,30H2,(H,34,36)(H,32,33,35)
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n/an/a>2.00E+4n/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))
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>3.20E+4n/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
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))
BDBM50526163
PNG
(CHEMBL4583282)
Show SMILES Nc1cc(F)ccc1NC(=O)c1cnc(NCc2ccccc2)cn1
Show InChI InChI=1S/C18H16FN5O/c19-13-6-7-15(14(20)8-13)24-18(25)16-10-23-17(11-21-16)22-9-12-4-2-1-3-5-12/h1-8,10-11H,9,20H2,(H,22,23)(H,24,25)
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n/an/a 6.50E+4n/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 using Fluor de Lys as sub...


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


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


(Homo sapiens (Human))
BDBM50526164
PNG
(CHEMBL4589724)
Show SMILES Nc1ccccc1NC(=O)c1cnc(NCc2ccccc2)cn1
Show InChI InChI=1S/C18H17N5O/c19-14-8-4-5-9-15(14)23-18(24)16-11-22-17(12-20-16)21-10-13-6-2-1-3-7-13/h1-9,11-12H,10,19H2,(H,21,22)(H,23,24)
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n/an/a 6.56E+4n/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 using Fluor de Lys as sub...


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


Article DOI: 10.1016/j.ejmech.2019.01.077
More data for this
Ligand-Target Pair
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