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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50038014   
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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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))
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))
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))
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))
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
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
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))
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))
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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n/an/a 9.90n/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203585
PNG
((8S,11R,13S,14S,17S)-11-(4-(dimethylphosphoryl)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(C)(C)=O |c:18,t:11|
Show InChI InChI=1S/C29H35O3P/c1-5-15-29(31)16-14-26-24-12-8-20-17-21(30)9-13-23(20)27(24)25(18-28(26,29)2)19-6-10-22(11-7-19)33(3,4)32/h6-7,10-11,17,24-26,31H,8-9,12-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 10n/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))
BDBM50203585
PNG
((8S,11R,13S,14S,17S)-11-(4-(dimethylphosphoryl)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(C)(C)=O |c:18,t:11|
Show InChI InChI=1S/C29H35O3P/c1-5-15-29(31)16-14-26-24-12-8-20-17-21(30)9-13-23(20)27(24)25(18-28(26,29)2)19-6-10-22(11-7-19)33(3,4)32/h6-7,10-11,17,24-26,31H,8-9,12-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 101n/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))
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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n/an/a 141n/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))
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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n/an/a 275n/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))
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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n/an/a 308n/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))
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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n/an/a 381n/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))
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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n/an/a 763n/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))
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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n/an/a>1.00E+3n/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))
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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n/an/a>1.00E+3n/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