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Compile Data Set for Download or QSAR

Found 142 hits with Last Name = 'linton' and Initial = 'o'   
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
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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PubMed
1n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1471-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.003
BindingDB Entry DOI: 10.7270/Q2PN96GJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203582
PNG
((8S,11R,13S,14S,17S)-11-(4-(diphenylphosphoryl)phe...)
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)P(=O)(c1ccccc1)c1ccccc1 |c:18,t:11|
Show InChI InChI=1S/C39H39O3P/c1-3-23-39(41)24-22-36-34-20-16-28-25-29(40)17-21-33(28)37(34)35(26-38(36,39)2)27-14-18-32(19-15-27)43(42,30-10-6-4-7-11-30)31-12-8-5-9-13-31/h4-15,18-19,25,34-36,41H,16-17,20-22,24,26H2,1-2H3/t34-,35+,36-,38-,39-/m0/s1
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3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1471-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.003
BindingDB Entry DOI: 10.7270/Q2PN96GJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203580
PNG
(CHEMBL250751 | diethyl 4-((8S,11R,13S,14S,17S)-17-...)
Show SMILES CCOP(=O)(OCC)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:31,38|
Show InChI InChI=1S/C31H39O5P/c1-5-17-31(33)18-16-28-26-14-10-22-19-23(32)11-15-25(22)29(26)27(20-30(28,31)4)21-8-12-24(13-9-21)37(34,35-6-2)36-7-3/h8-9,12-13,19,26-28,33H,6-7,10-11,14-16,18,20H2,1-4H3/t26-,27+,28-,30-,31-/m0/s1
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9n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1471-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.003
BindingDB Entry DOI: 10.7270/Q2PN96GJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203579
PNG
(CHEMBL250750 | diethyl 4-((8S,11R,13S,14S,17R)-17-...)
Show SMILES CCOP(=O)(OCC)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)CC=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:31,38|
Show InChI InChI=1S/C31H41O5P/c1-5-17-31(33)18-16-28-26-14-10-22-19-23(32)11-15-25(22)29(26)27(20-30(28,31)4)21-8-12-24(13-9-21)37(34,35-6-2)36-7-3/h5,8-9,12-13,19,26-28,33H,1,6-7,10-11,14-18,20H2,2-4H3/t26-,27+,28-,30-,31-/m0/s1
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10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1471-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.003
BindingDB Entry DOI: 10.7270/Q2PN96GJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203577
PNG
((8S,11R,13S,14S,17R)-17-allyl-11-(4-(diphenylphosp...)
Show SMILES C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC=C)c1ccc(cc1)P(=O)(c1ccccc1)c1ccccc1 |c:4,10|
Show InChI InChI=1S/C39H41O3P/c1-3-23-39(41)24-22-36-34-20-16-28-25-29(40)17-21-33(28)37(34)35(26-38(36,39)2)27-14-18-32(19-15-27)43(42,30-10-6-4-7-11-30)31-12-8-5-9-13-31/h3-15,18-19,25,34-36,41H,1,16-17,20-24,26H2,2H3/t34-,35+,36-,38-,39-/m0/s1
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10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1471-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.003
BindingDB Entry DOI: 10.7270/Q2PN96GJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203584
PNG
((8S,11R,13S,14S,17S)-11-(4-(diphenylphosphoryl)phe...)
Show SMILES C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)c1ccccc1)c1ccc(cc1)P(=O)(c1ccccc1)c1ccccc1 |c:4,10|
Show InChI InChI=1S/C42H41O3P/c1-41-28-38(29-17-21-35(22-18-29)46(45,33-13-7-3-8-14-33)34-15-9-4-10-16-34)40-36-24-20-32(43)27-30(36)19-23-37(40)39(41)25-26-42(41,44)31-11-5-2-6-12-31/h2-18,21-22,27,37-39,44H,19-20,23-26,28H2,1H3/t37-,38+,39-,41-,42+/m0/s1
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20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1471-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.003
BindingDB Entry DOI: 10.7270/Q2PN96GJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203586
PNG
(CHEMBL400047 | diethyl {4-[(2R,10'S,11'S,15'S,17'R...)
Show SMILES CCOP(=O)(OCC)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22OCCC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:33,40|
Show InChI InChI=1S/C32H41O5P/c1-5-36-38(34,37-6-2)25-11-7-22(8-12-25)28-20-31(4)29(15-17-32(31)21(3)16-18-35-32)27-13-9-23-19-24(33)10-14-26(23)30(27)28/h7-8,11-12,19,27-29H,3,5-6,9-10,13-18,20H2,1-2,4H3/t27-,28+,29-,31-,32+/m0/s1
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56.3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1471-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.003
BindingDB Entry DOI: 10.7270/Q2PN96GJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203578
PNG
(CHEMBL413806 | ethyl methyl({4-[(2R,10'S,11'S,15'S...)
Show SMILES CCOP(C)(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22OCCC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:31,38|
Show InChI InChI=1S/C31H39O4P/c1-5-35-36(4,33)24-10-6-21(7-11-24)27-19-30(3)28(14-16-31(30)20(2)15-17-34-31)26-12-8-22-18-23(32)9-13-25(22)29(26)27/h6-7,10-11,18,26-28H,2,5,8-9,12-17,19H2,1,3-4H3/t26-,27+,28-,30-,31+,36?/m0/s1
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59.8n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1471-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.003
BindingDB Entry DOI: 10.7270/Q2PN96GJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203583
PNG
(CHEMBL250949 | ethoxy({4-[(2R,10'S,11'S,15'S,17'R)...)
Show SMILES CCOP(O)(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22OCCC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:31,38|
Show InChI InChI=1S/C30H37O5P/c1-4-35-36(32,33)23-9-5-20(6-10-23)26-18-29(3)27(13-15-30(29)19(2)14-16-34-30)25-11-7-21-17-22(31)8-12-24(21)28(25)26/h5-6,9-10,17,25-27H,2,4,7-8,11-16,18H2,1,3H3,(H,32,33)/t25-,26+,27-,29-,30+/m0/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1471-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.003
BindingDB Entry DOI: 10.7270/Q2PN96GJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203581
PNG
(CHEMBL401477 | methyl({4-[(2R,10'S,11'S,15'S,17'R)...)
Show SMILES C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]21OCCC1=C)c1ccc(cc1)P(C)(O)=O |c:4,10|
Show InChI InChI=1S/C29H35O4P/c1-18-13-15-33-29(18)14-12-26-24-10-6-20-16-21(30)7-11-23(20)27(24)25(17-28(26,29)2)19-4-8-22(9-5-19)34(3,31)32/h4-5,8-9,16,24-26H,1,6-7,10-15,17H2,2-3H3,(H,31,32)/t24-,25+,26-,28-,29+/m0/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1471-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.003
BindingDB Entry DOI: 10.7270/Q2PN96GJ
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 [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
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 0.0540n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...


Bioorg Med Chem Lett 17: 5754-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.064
BindingDB Entry DOI: 10.7270/Q2Z03905
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |r,t:33,40|
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))
BDBM50295639
PNG
((1R,3S,3aR,3bS,10R)-10-(4-Dimethylamino-phenyl)-1-...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1OC[C@@]2(C)[C@@H](CC[C@@]2(O)C(C)=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:27,34|
Show InChI InChI=1S/C29H37NO3/c1-18(2)29(32)15-14-25-24-12-8-20-16-22(31)11-13-23(20)26(24)27(33-17-28(25,29)3)19-6-9-21(10-7-19)30(4)5/h6-7,9-10,16,24-25,27,32H,1,8,11-15,17H2,2-5H3/t24-,25-,27+,28-,29+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3977-80 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.095
BindingDB Entry DOI: 10.7270/Q29Z95VR
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50222089
PNG
((3S,10'S,11'S,15'S,17'R)-17'-(4-acetylphenyl)-5-et...)
Show SMILES CCC1=N[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CCC5=C4[C@H](C[C@]23C)c2ccc(cc2)C(C)=O)C(=C)O1 |c:18,t:2,11|
Show InChI InChI=1S/C31H35NO3/c1-5-28-32-31(19(3)35-28)15-14-27-25-12-10-22-16-23(34)11-13-24(22)29(25)26(17-30(27,31)4)21-8-6-20(7-9-21)18(2)33/h6-9,16,25-27H,3,5,10-15,17H2,1-2,4H3/t25-,26+,27-,30-,31+/m0/s1
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n/an/a 0.340n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...


Bioorg Med Chem Lett 17: 5754-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.064
BindingDB Entry DOI: 10.7270/Q2Z03905
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50222091
PNG
((3S,10'S,11'S,15'S,17'R)-17'-(4-acetylphenyl)-5,15...)
Show SMILES CC(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=C(C)OC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:19,29,36|
Show InChI InChI=1S/C30H33NO3/c1-17(32)20-5-7-21(8-6-20)26-16-29(4)27(13-14-30(29)18(2)34-19(3)31-30)25-11-9-22-15-23(33)10-12-24(22)28(25)26/h5-8,15,25-27H,2,9-14,16H2,1,3-4H3/t25-,26+,27-,29-,30+/m0/s1
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n/an/a 0.590n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...


Bioorg Med Chem Lett 17: 5754-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.064
BindingDB Entry DOI: 10.7270/Q2Z03905
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 |t:33,40|
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))
BDBM50222086
PNG
((3S,10'S,11'S,15'S,17'R)-17'-[4-(dimethylamino)phe...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=C(C)OC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:19,29,36|
Show InChI InChI=1S/C30H36N2O2/c1-18-30(31-19(2)34-18)15-14-27-25-12-8-21-16-23(33)11-13-24(21)28(25)26(17-29(27,30)3)20-6-9-22(10-7-20)32(4)5/h6-7,9-10,16,25-27H,1,8,11-15,17H2,2-5H3/t25-,26+,27-,29-,30+/m0/s1
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n/an/a 0.630n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...


Bioorg Med Chem Lett 17: 5754-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.064
BindingDB Entry DOI: 10.7270/Q2Z03905
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 |t:36,43|
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 |t:34,41|
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 |t:33,40|
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))
BDBM50222092
PNG
((3S,10'S,11'S,15'S,17'R)-17'-[4-(dimethylamino)phe...)
Show SMILES CCC1=N[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CCC5=C4[C@H](C[C@]23C)c2ccc(cc2)N(C)C)C(=C)O1 |c:18,t:2,11|
Show InChI InChI=1S/C31H38N2O2/c1-6-28-32-31(19(2)35-28)16-15-27-25-13-9-21-17-23(34)12-14-24(21)29(25)26(18-30(27,31)3)20-7-10-22(11-8-20)33(4)5/h7-8,10-11,17,25-27H,2,6,9,12-16,18H2,1,3-5H3/t25-,26+,27-,30-,31+/m0/s1
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n/an/a 0.980n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...


Bioorg Med Chem Lett 17: 5754-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.064
BindingDB Entry DOI: 10.7270/Q2Z03905
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50295646
PNG
((1'S,2R,2'S,6'R,9'R)-9'-[4-(dimethylamino)phenyl]-...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1OC[C@@]2(C)[C@@H](CC[C@]22OCCC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:29,36|
Show InChI InChI=1S/C30H37NO3/c1-19-14-16-34-30(19)15-13-26-25-11-7-21-17-23(32)10-12-24(21)27(25)28(33-18-29(26,30)2)20-5-8-22(9-6-20)31(3)4/h5-6,8-9,17,25-26,28H,1,7,10-16,18H2,2-4H3/t25-,26-,28+,29-,30+/m0/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 progesterone receptor in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity


Bioorg Med Chem Lett 19: 3977-80 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.095
BindingDB Entry DOI: 10.7270/Q29Z95VR
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50222088
PNG
((3S,10'S,11'S,15'S,17'R)-5-ethyl-17'-(3-fluoro-4-m...)
Show SMILES CCC1=N[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CCC5=C4[C@H](C[C@]23C)c2ccc(OC)c(F)c2)C(=C)O1 |c:18,t:2,11|
Show InChI InChI=1S/C30H34FNO3/c1-5-27-32-30(17(2)35-27)13-12-24-22-9-6-18-14-20(33)8-10-21(18)28(22)23(16-29(24,30)3)19-7-11-26(34-4)25(31)15-19/h7,11,14-15,22-24H,2,5-6,8-10,12-13,16H2,1,3-4H3/t22-,23+,24-,29-,30+/m0/s1
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RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...


Bioorg Med Chem Lett 17: 5754-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.064
BindingDB Entry DOI: 10.7270/Q2Z03905
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 |t:33,40|
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 |t:33,40|
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))
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 |t:33,40|
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 [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
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 progesterone receptor in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity


Bioorg Med Chem Lett 19: 3977-80 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.095
BindingDB Entry DOI: 10.7270/Q29Z95VR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
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)
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 |r,t:32,39|
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 progesterone receptor in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity


Bioorg Med Chem Lett 17: 907-10 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.062
BindingDB Entry DOI: 10.7270/Q2571CVQ
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 |r,t:32,39|
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))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
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 progesterone receptor in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity


Bioorg Med Chem Lett 17: 907-10 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.062
BindingDB Entry DOI: 10.7270/Q2571CVQ
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 [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
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)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
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 glucocorticoid receptor in human A549 cells assessed as inhibition of corticoid-induced transcription after 16 hrs by glucocor...


Bioorg Med Chem Lett 19: 3977-80 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.095
BindingDB Entry DOI: 10.7270/Q29Z95VR
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 [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
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 glucocorticoid receptor in human A549 cells assessed as inhibition of corticoid-induced GRE-linked luciferase reporter gene ac...


Bioorg Med Chem Lett 17: 907-10 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.062
BindingDB Entry DOI: 10.7270/Q2571CVQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM50203578
PNG
(CHEMBL413806 | ethyl methyl({4-[(2R,10'S,11'S,15'S...)
Show SMILES CCOP(C)(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22OCCC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:31,38|
Show InChI InChI=1S/C31H39O4P/c1-5-35-36(4,33)24-10-6-21(7-11-24)27-19-30(3)28(14-16-31(30)20(2)15-17-34-31)26-12-8-22-18-23(32)9-13-25(22)29(26)27/h6-7,10-11,18,26-28H,2,5,8-9,12-17,19H2,1,3-4H3/t26-,27+,28-,30-,31+,36?/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47 cells assessed as blockade of progesterone-induced alkaline phosphatase activity


Bioorg Med Chem Lett 17: 1471-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.003
BindingDB Entry DOI: 10.7270/Q2PN96GJ
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 |t:31,38|
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))
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 |t:33,40|
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))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
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 2.60n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47 cells assessed as blockade of progesterone-induced alkaline phosphatase activity


Bioorg Med Chem Lett 17: 1471-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.003
BindingDB Entry DOI: 10.7270/Q2PN96GJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |t:36,43|
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 |t:33,40|
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))
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 |t:36,43|
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))
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 |c:26,t:19|
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))
BDBM50295637
PNG
((1R,3S,3aR,3bS,10R)-1-Hydroxy-1-isopropenyl-12a-me...)
Show SMILES CSc1ccc(cc1)[C@H]1OC[C@@]2(C)[C@@H](CC[C@@]2(O)C(C)=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:26,33|
Show InChI InChI=1S/C28H34O3S/c1-17(2)28(30)14-13-24-23-11-7-19-15-20(29)8-12-22(19)25(23)26(31-16-27(24,28)3)18-5-9-21(32-4)10-6-18/h5-6,9-10,15,23-24,26,30H,1,7-8,11-14,16H2,2-4H3/t23-,24-,26+,27-,28+/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3977-80 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.095
BindingDB Entry DOI: 10.7270/Q29Z95VR
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 |t:34,41|
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))
BDBM50222087
PNG
((3S,10'S,11'S,15'S,17'R)-17'-(3-fluoro-4-methoxyph...)
Show SMILES COc1ccc(cc1F)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=C(C)OC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:19,29,36|
Show InChI InChI=1S/C29H32FNO3/c1-16-29(31-17(2)34-16)12-11-24-22-8-5-18-13-20(32)7-9-21(18)27(22)23(15-28(24,29)3)19-6-10-26(33-4)25(30)14-19/h6,10,13-14,22-24H,1,5,7-9,11-12,15H2,2-4H3/t22-,23+,24-,28-,29+/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...


Bioorg Med Chem Lett 17: 5754-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.064
BindingDB Entry DOI: 10.7270/Q2Z03905
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 |t:33,40|
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
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 6n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor expressed in A549 cells assessed as inhibition of corticoid-induced gene transcription by luciferase r...


Bioorg Med Chem Lett 17: 5754-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.064
BindingDB Entry DOI: 10.7270/Q2Z03905
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50295638
PNG
((1S,3S,3aR,3bS,10R)-1-Hydroxy-12a-methyl-10-(4-met...)
Show SMILES CSc1ccc(cc1)[C@H]1OC[C@@]2(C)[C@@H](CC[C@@]2(O)C(F)(F)C(F)(F)F)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:30,37|
Show InChI InChI=1S/C27H29F5O3S/c1-24-14-35-23(15-3-7-18(36-2)8-4-15)22-19-10-6-17(33)13-16(19)5-9-20(22)21(24)11-12-25(24,34)26(28,29)27(30,31)32/h3-4,7-8,13,20-21,23,34H,5-6,9-12,14H2,1-2H3/t20-,21-,23+,24-,25-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human A549 cells assessed as inhibition of corticoid-induced transcription after 16 hrs by glucocor...


Bioorg Med Chem Lett 19: 3977-80 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.095
BindingDB Entry DOI: 10.7270/Q29Z95VR
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50295645
PNG
((1'S,2R,2'S,6'R,9'R)-9'-(4-methoxyphenyl)-6'-methy...)
Show SMILES COc1ccc(cc1)[C@H]1OC[C@@]2(C)[C@@H](CC[C@]22OCCC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:28,35|
Show InChI InChI=1S/C29H34O4/c1-18-13-15-33-29(18)14-12-25-24-10-6-20-16-21(30)7-11-23(20)26(24)27(32-17-28(25,29)2)19-4-8-22(31-3)9-5-19/h4-5,8-9,16,24-25,27H,1,6-7,10-15,17H2,2-3H3/t24-,25-,27+,28-,29+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3977-80 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.095
BindingDB Entry DOI: 10.7270/Q29Z95VR
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 |r,c:18,t:11|
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
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