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Compile Data Set for Download or QSAR

Found 110 hits from Argenta Discovery Ltd   
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216485
PNG
(5-benzyl-6-(4-(3-chlorophenyl)piperidin-1-yl)pyrim...)
Show SMILES Clc1cccc(c1)C1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C22H22ClN3O2/c23-18-8-4-7-17(14-18)16-9-11-26(12-10-16)20-19(21(27)25-22(28)24-20)13-15-5-2-1-3-6-15/h1-8,14,16H,9-13H2,(H2,24,25,27,28)
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PubMed
4.90n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216493
PNG
(5-benzyl-6-(3-phenylpiperidin-1-yl)pyrimidine-2,4(...)
Show SMILES O=c1[nH]c(N2CCCC(C2)c2ccccc2)c(Cc2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C22H23N3O2/c26-21-19(14-16-8-3-1-4-9-16)20(23-22(27)24-21)25-13-7-12-18(15-25)17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H2,23,24,26,27)
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6.5n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216480
PNG
(5-benzyl-6-(4-(2-methoxyphenyl)piperidin-1-yl)pyri...)
Show SMILES COc1ccccc1C1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C23H25N3O3/c1-29-20-10-6-5-9-18(20)17-11-13-26(14-12-17)21-19(22(27)25-23(28)24-21)15-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H2,24,25,27,28)
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7.10n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216491
PNG
(5-benzyl-6-(4-phenylpiperidin-1-yl)pyrimidine-2,4(...)
Show SMILES O=c1[nH]c(N2CCC(CC2)c2ccccc2)c(Cc2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C22H23N3O2/c26-21-19(15-16-7-3-1-4-8-16)20(23-22(27)24-21)25-13-11-18(12-14-25)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H2,23,24,26,27)
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8.10n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216488
PNG
(5-(2-chlorobenzyl)-6-(4-phenylpiperidin-1-yl)pyrim...)
Show SMILES Clc1ccccc1Cc1c([nH]c(=O)[nH]c1=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C22H22ClN3O2/c23-19-9-5-4-8-17(19)14-18-20(24-22(28)25-21(18)27)26-12-10-16(11-13-26)15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H2,24,25,27,28)
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8.70n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216474
PNG
(5-(3-chlorobenzyl)-6-(4-phenylpiperidin-1-yl)pyrim...)
Show SMILES Clc1cccc(Cc2c([nH]c(=O)[nH]c2=O)N2CCC(CC2)c2ccccc2)c1
Show InChI InChI=1S/C22H22ClN3O2/c23-18-8-4-5-15(13-18)14-19-20(24-22(28)25-21(19)27)26-11-9-17(10-12-26)16-6-2-1-3-7-16/h1-8,13,17H,9-12,14H2,(H2,24,25,27,28)
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9.10n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216479
PNG
(5-benzyl-6-(4-(3-methoxyphenyl)piperidin-1-yl)pyri...)
Show SMILES COc1cccc(c1)C1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C23H25N3O3/c1-29-19-9-5-8-18(15-19)17-10-12-26(13-11-17)21-20(22(27)25-23(28)24-21)14-16-6-3-2-4-7-16/h2-9,15,17H,10-14H2,1H3,(H2,24,25,27,28)
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9.20n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216494
PNG
(5-(3-bromobenzyl)-6-(4-phenylpiperidin-1-yl)pyrimi...)
Show SMILES Brc1cccc(Cc2c([nH]c(=O)[nH]c2=O)N2CCC(CC2)c2ccccc2)c1
Show InChI InChI=1S/C22H22BrN3O2/c23-18-8-4-5-15(13-18)14-19-20(24-22(28)25-21(19)27)26-11-9-17(10-12-26)16-6-2-1-3-7-16/h1-8,13,17H,9-12,14H2,(H2,24,25,27,28)
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14n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216476
PNG
(5-(3-chlorobenzyl)-6-(4-benzylpiperidin-1-yl)-3-me...)
Show SMILES Cn1c(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C24H26ClN3O2/c1-27-23(29)21(16-19-8-5-9-20(25)15-19)22(26-24(27)30)28-12-10-18(11-13-28)14-17-6-3-2-4-7-17/h2-9,15,18H,10-14,16H2,1H3,(H,26,30)
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16n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216482
PNG
(5-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-2,4(...)
Show SMILES O=c1[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C23H25N3O2/c27-22-20(16-18-9-5-2-6-10-18)21(24-23(28)25-22)26-13-11-19(12-14-26)15-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H2,24,25,27,28)
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19n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216489
PNG
(5-benzyl-3-methyl-6-(4-phenylpiperidin-1-yl)pyrimi...)
Show SMILES Cn1c(=O)[nH]c(N2CCC(CC2)c2ccccc2)c(Cc2ccccc2)c1=O
Show InChI InChI=1S/C23H25N3O2/c1-25-22(27)20(16-17-8-4-2-5-9-17)21(24-23(25)28)26-14-12-19(13-15-26)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H,24,28)
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20n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216473
PNG
(5-benzyl-6-(4-benzylpiperidin-1-yl)-3-methylpyrimi...)
Show SMILES Cn1c(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2ccccc2)c1=O
Show InChI InChI=1S/C24H27N3O2/c1-26-23(28)21(17-19-10-6-3-7-11-19)22(25-24(26)29)27-14-12-20(13-15-27)16-18-8-4-2-5-9-18/h2-11,20H,12-17H2,1H3,(H,25,29)
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24n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216478
PNG
(5-(4-chlorobenzyl)-6-(4-phenylpiperidin-1-yl)pyrim...)
Show SMILES Clc1ccc(Cc2c([nH]c(=O)[nH]c2=O)N2CCC(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C22H22ClN3O2/c23-18-8-6-15(7-9-18)14-19-20(24-22(28)25-21(19)27)26-12-10-17(11-13-26)16-4-2-1-3-5-16/h1-9,17H,10-14H2,(H2,24,25,27,28)
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31n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216477
PNG
(5-(2-bromobenzyl)-6-(4-benzylpiperidin-1-yl)-3-met...)
Show SMILES Cn1c(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2ccccc2Br)c1=O
Show InChI InChI=1S/C24H26BrN3O2/c1-27-23(29)20(16-19-9-5-6-10-21(19)25)22(26-24(27)30)28-13-11-18(12-14-28)15-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H,26,30)
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33n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216495
PNG
(3-((2,4-dioxo-6-(4-phenylpiperidin-1-yl)-1,2,3,4-t...)
Show SMILES O=c1[nH]c(N2CCC(CC2)c2ccccc2)c(Cc2cccc(c2)C#N)c(=O)[nH]1
Show InChI InChI=1S/C23H22N4O2/c24-15-17-6-4-5-16(13-17)14-20-21(25-23(29)26-22(20)28)27-11-9-19(10-12-27)18-7-2-1-3-8-18/h1-8,13,19H,9-12,14H2,(H2,25,26,28,29)
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37n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216492
PNG
(5-benzyl-6-(4-(4-methoxyphenyl)piperidin-1-yl)pyri...)
Show SMILES COc1ccc(cc1)C1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C23H25N3O3/c1-29-19-9-7-17(8-10-19)18-11-13-26(14-12-18)21-20(22(27)25-23(28)24-21)15-16-5-3-2-4-6-16/h2-10,18H,11-15H2,1H3,(H2,24,25,27,28)
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45n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216490
PNG
(CHEMBL231500 | N-(4-(1-(5-benzyl-2,6-dioxo-1,2,3,6...)
Show SMILES CC(=O)Nc1ccc(cc1)C1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C24H26N4O3/c1-16(29)25-20-9-7-18(8-10-20)19-11-13-28(14-12-19)22-21(23(30)27-24(31)26-22)15-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3,(H,25,29)(H2,26,27,30,31)
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46n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216483
PNG
(5-benzyl-6-(3-phenylpyrrolidin-1-yl)pyrimidine-2,4...)
Show SMILES O=c1[nH]c(N2CCC(C2)c2ccccc2)c(Cc2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C21H21N3O2/c25-20-18(13-15-7-3-1-4-8-15)19(22-21(26)23-20)24-12-11-17(14-24)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H2,22,23,25,26)
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47n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216488
PNG
(5-(2-chlorobenzyl)-6-(4-phenylpiperidin-1-yl)pyrim...)
Show SMILES Clc1ccccc1Cc1c([nH]c(=O)[nH]c1=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C22H22ClN3O2/c23-19-9-5-4-8-17(19)14-18-20(24-22(28)25-21(18)27)26-12-10-16(11-13-26)15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H2,24,25,27,28)
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50n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216494
PNG
(5-(3-bromobenzyl)-6-(4-phenylpiperidin-1-yl)pyrimi...)
Show SMILES Brc1cccc(Cc2c([nH]c(=O)[nH]c2=O)N2CCC(CC2)c2ccccc2)c1
Show InChI InChI=1S/C22H22BrN3O2/c23-18-8-4-5-15(13-18)14-19-20(24-22(28)25-21(19)27)26-11-9-17(10-12-26)16-6-2-1-3-7-16/h1-8,13,17H,9-12,14H2,(H2,24,25,27,28)
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65n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216481
PNG
(5-benzyl-3-methyl-6-(4-phenoxypiperidin-1-yl)pyrim...)
Show SMILES Cn1c(=O)[nH]c(N2CCC(CC2)Oc2ccccc2)c(Cc2ccccc2)c1=O
Show InChI InChI=1S/C23H25N3O3/c1-25-22(27)20(16-17-8-4-2-5-9-17)21(24-23(25)28)26-14-12-19(13-15-26)29-18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H,24,28)
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78n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216491
PNG
(5-benzyl-6-(4-phenylpiperidin-1-yl)pyrimidine-2,4(...)
Show SMILES O=c1[nH]c(N2CCC(CC2)c2ccccc2)c(Cc2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C22H23N3O2/c26-21-19(15-16-7-3-1-4-8-16)20(23-22(27)24-21)25-13-11-18(12-14-25)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H2,23,24,26,27)
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93n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216474
PNG
(5-(3-chlorobenzyl)-6-(4-phenylpiperidin-1-yl)pyrim...)
Show SMILES Clc1cccc(Cc2c([nH]c(=O)[nH]c2=O)N2CCC(CC2)c2ccccc2)c1
Show InChI InChI=1S/C22H22ClN3O2/c23-18-8-4-5-15(13-18)14-19-20(24-22(28)25-21(19)27)26-11-9-17(10-12-26)16-6-2-1-3-7-16/h1-8,13,17H,9-12,14H2,(H2,24,25,27,28)
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96n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216485
PNG
(5-benzyl-6-(4-(3-chlorophenyl)piperidin-1-yl)pyrim...)
Show SMILES Clc1cccc(c1)C1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C22H22ClN3O2/c23-18-8-4-7-17(14-18)16-9-11-26(12-10-16)20-19(21(27)25-22(28)24-20)13-15-5-2-1-3-6-15/h1-8,14,16H,9-13H2,(H2,24,25,27,28)
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97n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216473
PNG
(5-benzyl-6-(4-benzylpiperidin-1-yl)-3-methylpyrimi...)
Show SMILES Cn1c(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2ccccc2)c1=O
Show InChI InChI=1S/C24H27N3O2/c1-26-23(28)21(17-19-10-6-3-7-11-19)22(25-24(26)29)27-14-12-20(13-15-27)16-18-8-4-2-5-9-18/h2-11,20H,12-17H2,1H3,(H,25,29)
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100n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216497
PNG
(5-benzyl-6-(4-(4-chlorophenyl)piperidin-1-yl)pyrim...)
Show SMILES Clc1ccc(cc1)C1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C22H22ClN3O2/c23-18-8-6-16(7-9-18)17-10-12-26(13-11-17)20-19(21(27)25-22(28)24-20)14-15-4-2-1-3-5-15/h1-9,17H,10-14H2,(H2,24,25,27,28)
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103n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216476
PNG
(5-(3-chlorobenzyl)-6-(4-benzylpiperidin-1-yl)-3-me...)
Show SMILES Cn1c(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C24H26ClN3O2/c1-27-23(29)21(16-19-8-5-9-20(25)15-19)22(26-24(27)30)28-12-10-18(11-13-28)14-17-6-3-2-4-7-17/h2-9,15,18H,10-14,16H2,1H3,(H,26,30)
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135n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216482
PNG
(5-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-2,4(...)
Show SMILES O=c1[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C23H25N3O2/c27-22-20(16-18-9-5-2-6-10-18)21(24-23(28)25-22)26-13-11-19(12-14-26)15-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H2,24,25,27,28)
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150n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216496
PNG
(5-benzyl-3-methyl-6-(4-phenethylpiperidin-1-yl)pyr...)
Show SMILES Cn1c(=O)[nH]c(N2CCC(CCc3ccccc3)CC2)c(Cc2ccccc2)c1=O
Show InChI InChI=1S/C25H29N3O2/c1-27-24(29)22(18-21-10-6-3-7-11-21)23(26-25(27)30)28-16-14-20(15-17-28)13-12-19-8-4-2-5-9-19/h2-11,20H,12-18H2,1H3,(H,26,30)
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154n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216479
PNG
(5-benzyl-6-(4-(3-methoxyphenyl)piperidin-1-yl)pyri...)
Show SMILES COc1cccc(c1)C1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C23H25N3O3/c1-29-19-9-5-8-18(15-19)17-10-12-26(13-11-17)21-20(22(27)25-23(28)24-21)14-16-6-3-2-4-7-16/h2-9,15,17H,10-14H2,1H3,(H2,24,25,27,28)
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158n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216489
PNG
(5-benzyl-3-methyl-6-(4-phenylpiperidin-1-yl)pyrimi...)
Show SMILES Cn1c(=O)[nH]c(N2CCC(CC2)c2ccccc2)c(Cc2ccccc2)c1=O
Show InChI InChI=1S/C23H25N3O2/c1-25-22(27)20(16-17-8-4-2-5-9-17)21(24-23(25)28)26-14-12-19(13-15-26)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H,24,28)
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190n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216493
PNG
(5-benzyl-6-(3-phenylpiperidin-1-yl)pyrimidine-2,4(...)
Show SMILES O=c1[nH]c(N2CCCC(C2)c2ccccc2)c(Cc2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C22H23N3O2/c26-21-19(14-16-8-3-1-4-9-16)20(23-22(27)24-21)25-13-7-12-18(15-25)17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H2,23,24,26,27)
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225n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Activity at human GR expressed in SW1353 cells


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216487
PNG
(6-(4-benzoylpiperidin-1-yl)-5-benzyl-3-methylpyrim...)
Show SMILES Cn1c(=O)[nH]c(N2CCC(CC2)C(=O)c2ccccc2)c(Cc2ccccc2)c1=O
Show InChI InChI=1S/C24H25N3O3/c1-26-23(29)20(16-17-8-4-2-5-9-17)22(25-24(26)30)27-14-12-19(13-15-27)21(28)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H,25,30)
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227n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216478
PNG
(5-(4-chlorobenzyl)-6-(4-phenylpiperidin-1-yl)pyrim...)
Show SMILES Clc1ccc(Cc2c([nH]c(=O)[nH]c2=O)N2CCC(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C22H22ClN3O2/c23-18-8-6-15(7-9-18)14-19-20(24-22(28)25-21(19)27)26-12-10-17(11-13-26)16-4-2-1-3-5-16/h1-9,17H,10-14H2,(H2,24,25,27,28)
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260n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50216480
PNG
(5-benzyl-6-(4-(2-methoxyphenyl)piperidin-1-yl)pyri...)
Show SMILES COc1ccccc1C1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C23H25N3O3/c1-29-20-10-6-5-9-18(20)17-11-13-26(14-12-17)21-19(22(27)25-23(28)24-21)15-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H2,24,25,27,28)
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298n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from mineralocorticoid receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216477
PNG
(5-(2-bromobenzyl)-6-(4-benzylpiperidin-1-yl)-3-met...)
Show SMILES Cn1c(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2ccccc2Br)c1=O
Show InChI InChI=1S/C24H26BrN3O2/c1-27-23(29)20(16-19-9-5-6-10-21(19)25)22(26-24(27)30)28-13-11-18(12-14-28)15-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H,26,30)
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300n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216475
PNG
(5-benzyl-6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-me...)
Show SMILES Cn1c(=O)[nH]c(N2CCC(O)(Cc3ccccc3)CC2)c(Cc2ccccc2)c1=O
Show InChI InChI=1S/C24H27N3O3/c1-26-22(28)20(16-18-8-4-2-5-9-18)21(25-23(26)29)27-14-12-24(30,13-15-27)17-19-10-6-3-7-11-19/h2-11,30H,12-17H2,1H3,(H,25,29)
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360n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216486
PNG
(5-benzyl-3-methyl-6-(4-phenylpiperazin-1-yl)pyrimi...)
Show SMILES Cn1c(=O)[nH]c(N2CCN(CC2)c2ccccc2)c(Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H24N4O2/c1-24-21(27)19(16-17-8-4-2-5-9-17)20(23-22(24)28)26-14-12-25(13-15-26)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3,(H,23,28)
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470n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50216485
PNG
(5-benzyl-6-(4-(3-chlorophenyl)piperidin-1-yl)pyrim...)
Show SMILES Clc1cccc(c1)C1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C22H22ClN3O2/c23-18-8-4-7-17(14-18)16-9-11-26(12-10-16)20-19(21(27)25-22(28)24-20)13-15-5-2-1-3-6-15/h1-8,14,16H,9-13H2,(H2,24,25,27,28)
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527n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from mineralocorticoid receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50216474
PNG
(5-(3-chlorobenzyl)-6-(4-phenylpiperidin-1-yl)pyrim...)
Show SMILES Clc1cccc(Cc2c([nH]c(=O)[nH]c2=O)N2CCC(CC2)c2ccccc2)c1
Show InChI InChI=1S/C22H22ClN3O2/c23-18-8-4-5-15(13-18)14-19-20(24-22(28)25-21(19)27)26-11-9-17(10-12-26)16-6-2-1-3-7-16/h1-8,13,17H,9-12,14H2,(H2,24,25,27,28)
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585n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from mineralocorticoid receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50216491
PNG
(5-benzyl-6-(4-phenylpiperidin-1-yl)pyrimidine-2,4(...)
Show SMILES O=c1[nH]c(N2CCC(CC2)c2ccccc2)c(Cc2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C22H23N3O2/c26-21-19(15-16-7-3-1-4-8-16)20(23-22(27)24-21)25-13-11-18(12-14-25)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H2,23,24,26,27)
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930n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from mineralocorticoid receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50216479
PNG
(5-benzyl-6-(4-(3-methoxyphenyl)piperidin-1-yl)pyri...)
Show SMILES COc1cccc(c1)C1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C23H25N3O3/c1-29-19-9-5-8-18(15-19)17-10-12-26(13-11-17)21-20(22(27)25-23(28)24-21)14-16-6-3-2-4-7-16/h2-9,15,17H,10-14H2,1H3,(H2,24,25,27,28)
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1.27E+3n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from mineralocorticoid receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50216488
PNG
(5-(2-chlorobenzyl)-6-(4-phenylpiperidin-1-yl)pyrim...)
Show SMILES Clc1ccccc1Cc1c([nH]c(=O)[nH]c1=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C22H22ClN3O2/c23-19-9-5-4-8-17(19)14-18-20(24-22(28)25-21(18)27)26-12-10-16(11-13-26)15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H2,24,25,27,28)
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3.49E+3n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from mineralocorticoid receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216484
PNG
(5-(3-(trifluoromethyl)benzyl)-6-(4-hydroxypiperidi...)
Show SMILES Cn1c(=O)[nH]c(N2CCC(O)CC2)c(Cc2cccc(c2)C(F)(F)F)c1=O
Show InChI InChI=1S/C18H20F3N3O3/c1-23-16(26)14(10-11-3-2-4-12(9-11)18(19,20)21)15(22-17(23)27)24-7-5-13(25)6-8-24/h2-4,9,13,25H,5-8,10H2,1H3,(H,22,27)
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4.50E+3n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50216474
PNG
(5-(3-chlorobenzyl)-6-(4-phenylpiperidin-1-yl)pyrim...)
Show SMILES Clc1cccc(Cc2c([nH]c(=O)[nH]c2=O)N2CCC(CC2)c2ccccc2)c1
Show InChI InChI=1S/C22H22ClN3O2/c23-18-8-4-5-15(13-18)14-19-20(24-22(28)25-21(19)27)26-11-9-17(10-12-26)16-6-2-1-3-7-16/h1-8,13,17H,9-12,14H2,(H2,24,25,27,28)
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7.05E+3n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from progesterone receptor


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50198484
PNG
(5-(5-((2-(benzofuran-4-yl)ethylamino)methyl)pyridi...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCCc2cccc3occc23)cn1
Show InChI InChI=1S/C21H19N3O3S/c25-21(24-26)20-7-6-19(28-20)17-5-4-14(13-23-17)12-22-10-8-15-2-1-3-18-16(15)9-11-27-18/h1-7,9,11,13,22,26H,8,10,12H2,(H,24,25)
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n/an/a 4n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50198204
PNG
(5-(1-(2-((1H-indol-5-yl)methylamino)ethyl)-1H-pyra...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccn(CCNCc2ccc3[nH]ccc3c2)n1
Show InChI InChI=1S/C19H19N5O2S/c25-19(23-26)18-4-3-17(27-18)16-6-9-24(22-16)10-8-20-12-13-1-2-15-14(11-13)5-7-21-15/h1-7,9,11,20-21,26H,8,10,12H2,(H,23,25)
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n/an/a 5n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 370-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.048
BindingDB Entry DOI: 10.7270/Q21J99FD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50198223
PNG
(5-(1-(2-(4-(pyridin-2-yl)benzylamino)ethyl)-1H-pyr...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccn(CCNCc2ccc(cc2)-c2ccccn2)n1
Show InChI InChI=1S/C22H21N5O2S/c28-22(26-29)21-9-8-20(30-21)19-10-13-27(25-19)14-12-23-15-16-4-6-17(7-5-16)18-3-1-2-11-24-18/h1-11,13,23,29H,12,14-15H2,(H,26,28)
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n/an/a 5n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 370-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.048
BindingDB Entry DOI: 10.7270/Q21J99FD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50198461
PNG
(5-(5-((2-chlorophenethylamino)methyl)pyridin-2-yl)...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCCc2ccccc2Cl)cn1
Show InChI InChI=1S/C19H18ClN3O2S/c20-15-4-2-1-3-14(15)9-10-21-11-13-5-6-16(22-12-13)17-7-8-18(26-17)19(24)23-25/h1-8,12,21,25H,9-11H2,(H,23,24)
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n/an/a 6n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50198208
PNG
(5-(1-(2-(3-chlorophenylamino)-2-oxoethyl)-1H-pyraz...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccn(CC(=O)Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C16H13ClN4O3S/c17-10-2-1-3-11(8-10)18-15(22)9-21-7-6-12(19-21)13-4-5-14(25-13)16(23)20-24/h1-8,24H,9H2,(H,18,22)(H,20,23)
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n/an/a 6n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 370-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.048
BindingDB Entry DOI: 10.7270/Q21J99FD
More data for this
Ligand-Target Pair
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