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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor corepressor 1'   
Target
(Institution)
LigandTarget
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
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
BDBM50354086
PNG
(FK-228 | Istodax | ROMIDEPSIN)
Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C
Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1
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0.150n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human HDAC3/NcoR1 enzyme using flurogenic Ac-LeuGlyLys (Ac)-AMC as substrate after 15 to 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
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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12n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human HDAC3/NcoR1 enzyme using flurogenic Ac-LeuGlyLys (Ac)-AMC as substrate after 15 to 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
BDBM50377384
PNG
(AZUMAMIDE C)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](C)[C@@H](CC=CCCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O
Show InChI InChI=1S/C27H38N4O7/c1-15(2)23-27(38)28-17(4)25(36)30-21(14-18-10-12-19(32)13-11-18)26(37)29-20(16(3)24(35)31-23)8-6-5-7-9-22(33)34/h5-6,10-13,15-17,20-21,23,32H,7-9,14H2,1-4H3,(H,28,38)(H,29,37)(H,30,36)(H,31,35)(H,33,34)/t16-,17+,20+,21+,23+/m0/s1
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14n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human HDAC3/NcoR1 enzyme using flurogenic Ac-LeuGlyLys (Ac)-AMC as substrate after 15 to 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
BDBM50372469
PNG
(AZUMAMIDE E)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](C)[C@@H](CC=CCCC(O)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O
Show InChI InChI=1S/C27H38N4O6/c1-16(2)23-27(37)28-18(4)25(35)30-21(15-19-11-7-5-8-12-19)26(36)29-20(17(3)24(34)31-23)13-9-6-10-14-22(32)33/h5-9,11-12,16-18,20-21,23H,10,13-15H2,1-4H3,(H,28,37)(H,29,36)(H,30,35)(H,31,34)(H,32,33)/t17-,18+,20+,21+,23+/m0/s1
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25n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human HDAC3/NcoR1 enzyme using flurogenic Ac-LeuGlyLys (Ac)-AMC as substrate after 15 to 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
BDBM50377383
PNG
(AZUMAMIDE B)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](C)[C@@H](CC=CCCC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O
Show InChI InChI=1S/C27H39N5O6/c1-15(2)23-27(38)29-17(4)25(36)31-21(14-18-10-12-19(33)13-11-18)26(37)30-20(16(3)24(35)32-23)8-6-5-7-9-22(28)34/h5-6,10-13,15-17,20-21,23,33H,7-9,14H2,1-4H3,(H2,28,34)(H,29,38)(H,30,37)(H,31,36)(H,32,35)/t16-,17+,20+,21+,23+/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human HDAC3/NcoR1 enzyme using flurogenic Ac-LeuGlyLys (Ac)-AMC as substrate after 15 to 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
BDBM50377385
PNG
(AZUMAMIDE A)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](C)[C@@H](CC=CCCC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O
Show InChI InChI=1S/C27H39N5O5/c1-16(2)23-27(37)29-18(4)25(35)31-21(15-19-11-7-5-8-12-19)26(36)30-20(17(3)24(34)32-23)13-9-6-10-14-22(28)33/h5-9,11-12,16-18,20-21,23H,10,13-15H2,1-4H3,(H2,28,33)(H,29,37)(H,30,36)(H,31,35)(H,32,34)/t17-,18+,20+,21+,23+/m0/s1
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3.20E+3n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human HDAC3/NcoR1 enzyme using flurogenic Ac-LeuGlyLys (Ac)-AMC as substrate after 15 to 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens)
BDBM50377382
PNG
(AZUMAMIDE D)
Show SMILES C[C@H]1NC(=O)[C@@H](C)[C@@H](CC=CCCC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O
Show InChI InChI=1S/C25H35N5O5/c1-15-19(12-8-5-9-13-21(26)31)29-25(35)20(14-18-10-6-4-7-11-18)30-24(34)17(3)28-23(33)16(2)27-22(15)32/h4-8,10-11,15-17,19-20H,9,12-14H2,1-3H3,(H2,26,31)(H,27,32)(H,28,33)(H,29,35)(H,30,34)/t15-,16+,17+,19+,20+/m0/s1
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3.70E+3n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human HDAC3/NcoR1 enzyme using flurogenic Ac-LeuGlyLys (Ac)-AMC as substrate after 15 to 30 mins


Citation and Details
More data for this
Ligand-Target Pair