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PubMed code 17317167

Compile data set for download or QSAR
Found 50 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Progesterone receptor


(Homo sapiens (Human))
BDBM50206106
PNG
((8S,11R,13S,14R)-11-(4-dimethylamino-phenyl)-17-(4...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccc(F)cc2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C33H34FNO3/c1-32-19-28(22-6-10-25(11-7-22)35(2)3)30-27-13-12-26(36)18-23(27)20-38-31(30)29(32)15-17-33(32,37)16-14-21-4-8-24(34)9-5-21/h4-11,18,28-29,31,37H,12-13,15,17,19-20H2,1-3H3/t28-,29+,31+,32+,33+/m1/s1
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n/an/a 0.270n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50206114
PNG
((8S,11R,13S,14R,17S)-17-(4-chloro-phenylethynyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccc(Cl)cc2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C33H34ClNO3/c1-32-19-28(22-6-10-25(11-7-22)35(2)3)30-27-13-12-26(36)18-23(27)20-38-31(30)29(32)15-17-33(32,37)16-14-21-4-8-24(34)9-5-21/h4-11,18,28-29,31,37H,12-13,15,17,19-20H2,1-3H3/t28-,29+,31+,32+,33+/m1/s1
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n/an/a 0.610n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50206108
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccc(cc2)C(F)(F)F)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C34H34F3NO3/c1-32-19-28(22-6-10-25(11-7-22)38(2)3)30-27-13-12-26(39)18-23(27)20-41-31(30)29(32)15-17-33(32,40)16-14-21-4-8-24(9-5-21)34(35,36)37/h4-11,18,28-29,31,40H,12-13,15,17,19-20H2,1-3H3/t28-,29+,31+,32+,33+/m1/s1
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n/an/a 0.75n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50206097
PNG
((8S,11R,13S,14R,17S)-17-(3,5-difluoro-phenylethyny...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2cc(F)cc(F)c2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C33H33F2NO3/c1-32-18-28(21-4-6-25(7-5-21)36(2)3)30-27-9-8-26(37)16-22(27)19-39-31(30)29(32)11-13-33(32,38)12-10-20-14-23(34)17-24(35)15-20/h4-7,14-17,28-29,31,38H,8-9,11,13,18-19H2,1-3H3/t28-,29+,31+,32+,33+/m1/s1
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n/an/a 0.910n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50206109
PNG
((8S,11R,13S,14R,17S)-17-(4-bromo-phenylethynyl)-11...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccc(Br)cc2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C33H34BrNO3/c1-32-19-28(22-6-10-25(11-7-22)35(2)3)30-27-13-12-26(36)18-23(27)20-38-31(30)29(32)15-17-33(32,37)16-14-21-4-8-24(34)9-5-21/h4-11,18,28-29,31,37H,12-13,15,17,19-20H2,1-3H3/t28-,29+,31+,32+,33+/m1/s1
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n/an/a 0.940n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50206101
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2cccc(F)c2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C33H34FNO3/c1-32-19-28(22-7-9-25(10-8-22)35(2)3)30-27-12-11-26(36)18-23(27)20-38-31(30)29(32)14-16-33(32,37)15-13-21-5-4-6-24(34)17-21/h4-10,17-18,28-29,31,37H,11-12,14,16,19-20H2,1-3H3/t28-,29+,31+,32+,33+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50206098
PNG
((8S,11R,13S,14R,17S)-17-(2-chloro-phenylethynyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccccc2Cl)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C33H34ClNO3/c1-32-19-27(21-8-10-24(11-9-21)35(2)3)30-26-13-12-25(36)18-23(26)20-38-31(30)28(32)15-17-33(32,37)16-14-22-6-4-5-7-29(22)34/h4-11,18,27-28,31,37H,12-13,15,17,19-20H2,1-3H3/t27-,28+,31+,32+,33+/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50200660
PNG
((8S,11R,13S,14R,17S)-11-(4-Dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccccc2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C33H35NO3/c1-32-20-28(23-9-11-25(12-10-23)34(2)3)30-27-14-13-26(35)19-24(27)21-37-31(30)29(32)16-18-33(32,36)17-15-22-7-5-4-6-8-22/h4-12,19,28-29,31,36H,13-14,16,18,20-21H2,1-3H3/t28-,29+,31+,32+,33+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50206100
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccccc2F)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C33H34FNO3/c1-32-19-27(21-8-10-24(11-9-21)35(2)3)30-26-13-12-25(36)18-23(26)20-38-31(30)28(32)15-17-33(32,37)16-14-22-6-4-5-7-29(22)34/h4-11,18,27-28,31,37H,12-13,15,17,19-20H2,1-3H3/t27-,28+,31+,32+,33+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM50206107
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccc(C)cc2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C34H37NO3/c1-22-5-7-23(8-6-22)15-17-34(37)18-16-30-32-31(28-14-13-27(36)19-25(28)21-38-32)29(20-33(30,34)2)24-9-11-26(12-10-24)35(3)4/h5-12,19,29-30,32,37H,13-14,16,18,20-21H2,1-4H3/t29-,30+,32+,33+,34+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50206115
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccsc2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C31H33NO3S/c1-30-17-26(21-4-6-23(7-5-21)32(2)3)28-25-9-8-24(33)16-22(25)18-35-29(28)27(30)11-14-31(30,34)13-10-20-12-15-36-19-20/h4-7,12,15-16,19,26-27,29,34H,8-9,11,14,17-18H2,1-3H3/t26-,27+,29+,30+,31+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50206102
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2cccc(c2)C(F)(F)F)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C34H34F3NO3/c1-32-19-28(22-7-9-25(10-8-22)38(2)3)30-27-12-11-26(39)18-23(27)20-41-31(30)29(32)14-16-33(32,40)15-13-21-5-4-6-24(17-21)34(35,36)37/h4-10,17-18,28-29,31,40H,11-12,14,16,19-20H2,1-3H3/t28-,29+,31+,32+,33+/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50206111
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2cccc(C)c2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C34H37NO3/c1-22-6-5-7-23(18-22)14-16-34(37)17-15-30-32-31(28-13-12-27(36)19-25(28)21-38-32)29(20-33(30,34)2)24-8-10-26(11-9-24)35(3)4/h5-11,18-19,29-30,32,37H,12-13,15,17,20-21H2,1-4H3/t29-,30+,32+,33+,34+/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50206117
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES COc1ccc(cc1)C#C[C@]1(O)CC[C@H]2[C@@H]3OCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C34H37NO4/c1-33-20-29(23-7-9-25(10-8-23)35(2)3)31-28-14-11-26(36)19-24(28)21-39-32(31)30(33)16-18-34(33,37)17-15-22-5-12-27(38-4)13-6-22/h5-10,12-13,19,29-30,32,37H,11,14,16,18,20-21H2,1-4H3/t29-,30+,32+,33+,34+/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50206104
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccccc2C(F)(F)F)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C34H34F3NO3/c1-32-19-27(21-8-10-24(11-9-21)38(2)3)30-26-13-12-25(39)18-23(26)20-41-31(30)29(32)15-17-33(32,40)16-14-22-6-4-5-7-28(22)34(35,36)37/h4-11,18,27,29,31,40H,12-13,15,17,19-20H2,1-3H3/t27-,29+,31+,32+,33+/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50206113
PNG
(4-[(8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccc(cc2)C#N)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C34H34N2O3/c1-33-19-29(24-8-10-26(11-9-24)36(2)3)31-28-13-12-27(37)18-25(28)21-39-32(31)30(33)15-17-34(33,38)16-14-22-4-6-23(20-35)7-5-22/h4-11,18,29-30,32,38H,12-13,15,17,19,21H2,1-3H3/t29-,30+,32+,33+,34+/m1/s1
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n/an/a 3.70n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50206099
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccccc2C)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C34H37NO3/c1-22-7-5-6-8-23(22)15-17-34(37)18-16-30-32-31(28-14-13-27(36)19-25(28)21-38-32)29(20-33(30,34)2)24-9-11-26(12-10-24)35(3)4/h5-12,19,29-30,32,37H,13-14,16,18,20-21H2,1-4H3/t29-,30+,32+,33+,34+/m1/s1
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n/an/a 5.80n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50200655
PNG
((8S,11R,13S,14R,17S)-11-(4-Dimethylamino-phenyl)-1...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3OCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C28H33NO3/c1-5-13-28(31)14-12-24-26-25(22-11-10-21(30)15-19(22)17-32-26)23(16-27(24,28)2)18-6-8-20(9-7-18)29(3)4/h6-9,15,23-24,26,31H,10-12,14,16-17H2,1-4H3/t23-,24+,26+,27+,28+/m1/s1
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n/an/a 7.5n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50206103
PNG
((8S,11R,13S,14R,17S)-17-(2-bromo-phenylethynyl)-11...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccccc2Br)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C33H34BrNO3/c1-32-19-27(21-8-10-24(11-9-21)35(2)3)30-26-13-12-25(36)18-23(26)20-38-31(30)28(32)15-17-33(32,37)16-14-22-6-4-5-7-29(22)34/h4-11,18,27-28,31,37H,12-13,15,17,19-20H2,1-3H3/t27-,28+,31+,32+,33+/m1/s1
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n/an/a 8.60n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50206112
PNG
((8S,11R,13S,14R,17S)-17-(3-chloro-phenylethynyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2cccc(Cl)c2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C33H34ClNO3/c1-32-19-28(22-7-9-25(10-8-22)35(2)3)30-27-12-11-26(36)18-23(27)20-38-31(30)29(32)14-16-33(32,37)15-13-21-5-4-6-24(34)17-21/h4-10,17-18,28-29,31,37H,11-12,14,16,19-20H2,1-3H3/t28-,29+,31+,32+,33+/m1/s1
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n/an/a 12.5n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50206116
PNG
((8S,11R,13S,14R,17S)-17-(4-tert-butyl-phenylethyny...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccc(cc2)C(C)(C)C)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C37H43NO3/c1-35(2,3)27-11-7-24(8-12-27)17-19-37(40)20-18-32-34-33(30-16-15-29(39)21-26(30)23-41-34)31(22-36(32,37)4)25-9-13-28(14-10-25)38(5)6/h7-14,21,31-32,34,40H,15-16,18,20,22-23H2,1-6H3/t31-,32+,34+,36+,37+/m1/s1
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n/an/a 19.5n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50206110
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2cccnc2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C32H34N2O3/c1-31-18-27(22-6-8-24(9-7-22)34(2)3)29-26-11-10-25(35)17-23(26)20-37-30(29)28(31)13-15-32(31,36)14-12-21-5-4-16-33-19-21/h4-9,16-17,19,27-28,30,36H,10-11,13,15,18,20H2,1-3H3/t27-,28+,30+,31+,32+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206107
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccc(C)cc2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C34H37NO3/c1-22-5-7-23(8-6-22)15-17-34(37)18-16-30-32-31(28-14-13-27(36)19-25(28)21-38-32)29(20-33(30,34)2)24-9-11-26(12-10-24)35(3)4/h5-12,19,29-30,32,37H,13-14,16,18,20-21H2,1-4H3/t29-,30+,32+,33+,34+/m1/s1
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n/an/a 22.1n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206109
PNG
((8S,11R,13S,14R,17S)-17-(4-bromo-phenylethynyl)-11...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccc(Br)cc2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C33H34BrNO3/c1-32-19-28(22-6-10-25(11-7-22)35(2)3)30-27-13-12-26(36)18-23(27)20-38-31(30)29(32)15-17-33(32,37)16-14-21-4-8-24(34)9-5-21/h4-11,18,28-29,31,37H,12-13,15,17,19-20H2,1-3H3/t28-,29+,31+,32+,33+/m1/s1
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n/an/a 31.3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50206105
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccccn2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C32H34N2O3/c1-31-19-27(21-7-9-24(10-8-21)34(2)3)29-26-12-11-25(35)18-22(26)20-37-30(29)28(31)14-16-32(31,36)15-13-23-6-4-5-17-33-23/h4-10,17-18,27-28,30,36H,11-12,14,16,19-20H2,1-3H3/t27-,28+,30+,31+,32+/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206097
PNG
((8S,11R,13S,14R,17S)-17-(3,5-difluoro-phenylethyny...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2cc(F)cc(F)c2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C33H33F2NO3/c1-32-18-28(21-4-6-25(7-5-21)36(2)3)30-27-9-8-26(37)16-22(27)19-39-31(30)29(32)11-13-33(32,38)12-10-20-14-23(34)17-24(35)15-20/h4-7,14-17,28-29,31,38H,8-9,11,13,18-19H2,1-3H3/t28-,29+,31+,32+,33+/m1/s1
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n/an/a 34.4n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206111
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2cccc(C)c2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C34H37NO3/c1-22-6-5-7-23(18-22)14-16-34(37)17-15-30-32-31(28-13-12-27(36)19-25(28)21-38-32)29(20-33(30,34)2)24-8-10-26(11-9-24)35(3)4/h5-11,18-19,29-30,32,37H,12-13,15,17,20-21H2,1-4H3/t29-,30+,32+,33+,34+/m1/s1
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n/an/a 36.3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206106
PNG
((8S,11R,13S,14R)-11-(4-dimethylamino-phenyl)-17-(4...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccc(F)cc2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C33H34FNO3/c1-32-19-28(22-6-10-25(11-7-22)35(2)3)30-27-13-12-26(36)18-23(27)20-38-31(30)29(32)15-17-33(32,37)16-14-21-4-8-24(34)9-5-21/h4-11,18,28-29,31,37H,12-13,15,17,19-20H2,1-3H3/t28-,29+,31+,32+,33+/m1/s1
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n/an/a 37.6n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50206096
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccncc2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C32H34N2O3/c1-31-19-27(22-4-6-24(7-5-22)34(2)3)29-26-9-8-25(35)18-23(26)20-37-30(29)28(31)11-15-32(31,36)14-10-21-12-16-33-17-13-21/h4-7,12-13,16-18,27-28,30,36H,8-9,11,15,19-20H2,1-3H3/t27-,28+,30+,31+,32+/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206113
PNG
(4-[(8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccc(cc2)C#N)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C34H34N2O3/c1-33-19-29(24-8-10-26(11-9-24)36(2)3)31-28-13-12-27(37)18-25(28)21-39-32(31)30(33)15-17-34(33,38)16-14-22-4-6-23(20-35)7-5-22/h4-11,18,29-30,32,38H,12-13,15,17,19,21H2,1-3H3/t29-,30+,32+,33+,34+/m1/s1
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n/an/a 41.3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206114
PNG
((8S,11R,13S,14R,17S)-17-(4-chloro-phenylethynyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccc(Cl)cc2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C33H34ClNO3/c1-32-19-28(22-6-10-25(11-7-22)35(2)3)30-27-13-12-26(36)18-23(27)20-38-31(30)29(32)15-17-33(32,37)16-14-21-4-8-24(34)9-5-21/h4-11,18,28-29,31,37H,12-13,15,17,19-20H2,1-3H3/t28-,29+,31+,32+,33+/m1/s1
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n/an/a 43.5n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206102
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2cccc(c2)C(F)(F)F)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C34H34F3NO3/c1-32-19-28(22-7-9-25(10-8-22)38(2)3)30-27-12-11-26(39)18-23(27)20-41-31(30)29(32)14-16-33(32,40)15-13-21-5-4-6-24(17-21)34(35,36)37/h4-10,17-18,28-29,31,40H,11-12,14,16,19-20H2,1-3H3/t28-,29+,31+,32+,33+/m1/s1
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n/an/a 45.4n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206112
PNG
((8S,11R,13S,14R,17S)-17-(3-chloro-phenylethynyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2cccc(Cl)c2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C33H34ClNO3/c1-32-19-28(22-7-9-25(10-8-22)35(2)3)30-27-12-11-26(36)18-23(27)20-38-31(30)29(32)14-16-33(32,37)15-13-21-5-4-6-24(34)17-21/h4-10,17-18,28-29,31,37H,11-12,14,16,19-20H2,1-3H3/t28-,29+,31+,32+,33+/m1/s1
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n/an/a 48.9n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206104
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccccc2C(F)(F)F)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C34H34F3NO3/c1-32-19-27(21-8-10-24(11-9-21)38(2)3)30-26-13-12-25(39)18-23(26)20-41-31(30)29(32)15-17-33(32,40)16-14-22-6-4-5-7-28(22)34(35,36)37/h4-11,18,27,29,31,40H,12-13,15,17,19-20H2,1-3H3/t27-,29+,31+,32+,33+/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206115
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccsc2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C31H33NO3S/c1-30-17-26(21-4-6-23(7-5-21)32(2)3)28-25-9-8-24(33)16-22(25)18-35-29(28)27(30)11-14-31(30,34)13-10-20-12-15-36-19-20/h4-7,12,15-16,19,26-27,29,34H,8-9,11,14,17-18H2,1-3H3/t26-,27+,29+,30+,31+/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206101
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2cccc(F)c2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C33H34FNO3/c1-32-19-28(22-7-9-25(10-8-22)35(2)3)30-27-12-11-26(36)18-23(27)20-38-31(30)29(32)14-16-33(32,37)15-13-21-5-4-6-24(34)17-21/h4-10,17-18,28-29,31,37H,11-12,14,16,19-20H2,1-3H3/t28-,29+,31+,32+,33+/m1/s1
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n/an/a 56.6n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206103
PNG
((8S,11R,13S,14R,17S)-17-(2-bromo-phenylethynyl)-11...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccccc2Br)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C33H34BrNO3/c1-32-19-27(21-8-10-24(11-9-21)35(2)3)30-26-13-12-25(36)18-23(26)20-38-31(30)28(32)15-17-33(32,37)16-14-22-6-4-5-7-29(22)34/h4-11,18,27-28,31,37H,12-13,15,17,19-20H2,1-3H3/t27-,28+,31+,32+,33+/m1/s1
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n/an/a 62.7n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206098
PNG
((8S,11R,13S,14R,17S)-17-(2-chloro-phenylethynyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccccc2Cl)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C33H34ClNO3/c1-32-19-27(21-8-10-24(11-9-21)35(2)3)30-26-13-12-25(36)18-23(26)20-38-31(30)28(32)15-17-33(32,37)16-14-22-6-4-5-7-29(22)34/h4-11,18,27-28,31,37H,12-13,15,17,19-20H2,1-3H3/t27-,28+,31+,32+,33+/m1/s1
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n/an/a 64.8n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206100
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccccc2F)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C33H34FNO3/c1-32-19-27(21-8-10-24(11-9-21)35(2)3)30-26-13-12-25(36)18-23(26)20-38-31(30)28(32)15-17-33(32,37)16-14-22-6-4-5-7-29(22)34/h4-11,18,27-28,31,37H,12-13,15,17,19-20H2,1-3H3/t27-,28+,31+,32+,33+/m1/s1
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n/an/a 65.1n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206116
PNG
((8S,11R,13S,14R,17S)-17-(4-tert-butyl-phenylethyny...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccc(cc2)C(C)(C)C)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C37H43NO3/c1-35(2,3)27-11-7-24(8-12-27)17-19-37(40)20-18-32-34-33(30-16-15-29(39)21-26(30)23-41-34)31(22-36(32,37)4)25-9-13-28(14-10-25)38(5)6/h7-14,21,31-32,34,40H,15-16,18,20,22-23H2,1-6H3/t31-,32+,34+,36+,37+/m1/s1
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n/an/a 65.8n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206117
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES COc1ccc(cc1)C#C[C@]1(O)CC[C@H]2[C@@H]3OCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C34H37NO4/c1-33-20-29(23-7-9-25(10-8-23)35(2)3)31-28-14-11-26(36)19-24(28)21-39-32(31)30(33)16-18-34(33,37)17-15-22-5-12-27(38-4)13-6-22/h5-10,12-13,19,29-30,32,37H,11,14,16,18,20-21H2,1-4H3/t29-,30+,32+,33+,34+/m1/s1
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n/an/a 80.3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50200655
PNG
((8S,11R,13S,14R,17S)-11-(4-Dimethylamino-phenyl)-1...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3OCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C28H33NO3/c1-5-13-28(31)14-12-24-26-25(22-11-10-21(30)15-19(22)17-32-26)23(16-27(24,28)2)18-6-8-20(9-7-18)29(3)4/h6-9,15,23-24,26,31H,10-12,14,16-17H2,1-4H3/t23-,24+,26+,27+,28+/m1/s1
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n/an/a 86.5n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206108
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccc(cc2)C(F)(F)F)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C34H34F3NO3/c1-32-19-28(22-6-10-25(11-7-22)38(2)3)30-27-13-12-26(39)18-23(27)20-41-31(30)29(32)15-17-33(32,40)16-14-21-4-8-24(9-5-21)34(35,36)37/h4-11,18,28-29,31,40H,12-13,15,17,19-20H2,1-3H3/t28-,29+,31+,32+,33+/m1/s1
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n/an/a 111n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206099
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccccc2C)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C34H37NO3/c1-22-7-5-6-8-23(22)15-17-34(37)18-16-30-32-31(28-14-13-27(36)19-25(28)21-38-32)29(20-33(30,34)2)24-9-11-26(12-10-24)35(3)4/h5-12,19,29-30,32,37H,13-14,16,18,20-21H2,1-4H3/t29-,30+,32+,33+,34+/m1/s1
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n/an/a 113n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206105
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccccn2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C32H34N2O3/c1-31-19-27(21-7-9-24(10-8-21)34(2)3)29-26-12-11-25(35)18-22(26)20-37-30(29)28(31)14-16-32(31,36)15-13-23-6-4-5-17-33-23/h4-10,17-18,27-28,30,36H,11-12,14,16,19-20H2,1-3H3/t27-,28+,30+,31+,32+/m1/s1
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n/an/a 175n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206096
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccncc2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C32H34N2O3/c1-31-19-27(22-4-6-24(7-5-22)34(2)3)29-26-9-8-25(35)18-23(26)20-37-30(29)28(31)11-15-32(31,36)14-10-21-12-16-33-17-13-21/h4-7,12-13,16-18,27-28,30,36H,8-9,11,15,19-20H2,1-3H3/t27-,28+,30+,31+,32+/m1/s1
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n/an/a 247n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50200660
PNG
((8S,11R,13S,14R,17S)-11-(4-Dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccccc2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C33H35NO3/c1-32-20-28(23-9-11-25(12-10-23)34(2)3)30-27-14-13-26(35)19-24(27)21-37-31(30)29(32)16-18-33(32,36)17-15-22-7-5-4-6-8-22/h4-12,19,28-29,31,36H,13-14,16,18,20-21H2,1-3H3/t28-,29+,31+,32+,33+/m1/s1
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Article
PubMed
n/an/a 304n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206110
PNG
((8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-1...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2cccnc2)[C@@H]2OCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C32H34N2O3/c1-31-18-27(22-6-8-24(9-7-22)34(2)3)29-26-11-10-25(35)17-23(26)20-37-30(29)28(31)13-15-32(31,36)14-12-21-5-4-16-33-19-21/h4-9,16-17,19,27-28,30,36H,10-11,13,15,18,20H2,1-3H3/t27-,28+,30+,31+,32+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 342n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luci...


Bioorg Med Chem Lett 17: 2531-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.013
BindingDB Entry DOI: 10.7270/Q2RV0PH2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%