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28 similar compounds to monomer 86690

Compile data set for download or QSAR
Wt: 429.5
BDBM18627
Purchase
Wt: 429.5
BDBM86689
Purchase
Wt: 429.5
BDBM50072024
Purchase
Wt: 543.6
BDBM50150336
Wt: 517.6
BDBM50150339
Wt: 836.1
BDBM50151061
Wt: 893.2
BDBM50151063
Wt: 804.1
BDBM50151064
Wt: 850.1
BDBM50151068
Wt: 820.1
BDBM50151076
Wt: 820.1
BDBM50151077
Wt: 850.1
BDBM50195155
Wt: 515.6
BDBM50197426
Wt: 850.1
BDBM50197432
Wt: 457.6
BDBM50292753
Displayed 1 to 15 (of 28 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 223 hits for monomerid = 18627,86689,50072024,50150336,50150339,50151061,50151063,50151064,50151068,50151076,50151077,50195155,50197426,50197432,50292753   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucocorticoid receptor


(Homo sapiens (Human))
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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0.100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid


(RAT)
BDBM86689
PNG
(CAS_84371-65-3 | NSC_55245 | RU-486)
Show SMILES CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)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
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0.100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 191-200 (2005)


Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50151076
PNG
((4R)-4-[(1S,2S,7R,10R,11S,14R,15R,16S)-5-[2-({4-[(...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C53H73NO6/c1-7-53(59)25-23-44-41-16-11-34-28-37(55)15-18-39(34)49(41)42(31-51(44,53)4)33-9-13-36(14-10-33)54(6)26-27-60-38-22-24-50(3)35(29-38)12-17-40-45-20-19-43(32(2)8-21-48(57)58)52(45,5)47(56)30-46(40)50/h1,9-10,13-14,28,32,35,38,40-47,56,59H,8,11-12,15-27,29-31H2,2-6H3,(H,57,58)/t32-,35-,38?,40+,41+,42-,43-,44+,45+,46+,47+,50+,51+,52-,53+/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50151077
PNG
((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R)-5-[2-({4-[(1...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3CC[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C53H73NO6/c1-7-53(59)25-22-43-40-15-11-34-28-37(55)14-16-39(34)48(40)41(31-52(43,53)5)33-9-12-36(13-10-33)54(6)26-27-60-38-20-23-50(3)35(29-38)30-46(56)49-44-18-17-42(32(2)8-19-47(57)58)51(44,4)24-21-45(49)50/h1,9-10,12-13,28,32,35,38,40-46,49,56,59H,8,11,14-27,29-31H2,2-6H3,(H,57,58)/t32-,35+,38?,40+,41-,42-,43+,44+,45+,46-,49+,50+,51-,52+,53+/m1/s1
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0.180n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50151068
PNG
((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-[3-({4...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C54H75NO7/c1-7-54(61)24-22-43-40-16-12-34-27-37(56)15-17-39(34)49(40)41(31-52(43,54)4)33-10-13-36(14-11-33)55(6)25-8-26-62-38-21-23-51(3)35(28-38)29-46(57)50-44-19-18-42(32(2)9-20-48(59)60)53(44,5)47(58)30-45(50)51/h1,10-11,13-14,27,32,35,38,40-47,50,57-58,61H,8-9,12,15-26,28-31H2,2-6H3,(H,59,60)/t32-,35+,38?,40+,41-,42-,43+,44+,45+,46-,47+,50+,51+,52+,53-,54+/m1/s1
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0.220n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50151064
PNG
((4R)-4-[(1S,2S,7R,10R,11S,14R,15R)-5-[2-({4-[(10S,...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(CC[C@]4(C)[C@H]3CC[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C53H73NO5/c1-7-53(58)27-24-47-42-16-11-35-30-38(55)15-18-40(35)49(42)43(32-52(47,53)5)34-9-13-37(14-10-34)54(6)28-29-59-39-22-25-50(3)36(31-39)12-17-41-45-20-19-44(33(2)8-21-48(56)57)51(45,4)26-23-46(41)50/h1,9-10,13-14,30,33,36,39,41-47,58H,8,11-12,15-29,31-32H2,2-6H3,(H,56,57)/t33-,36-,39?,41+,42+,43-,44-,45+,46+,47+,50+,51-,52+,53+/m1/s1
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0.220n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
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 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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0.240n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]DEX from human glucocorticoid receptor


J Med Chem 53: 3065-74 (2010)


Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH
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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0.240n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of 10 nM [3H]dexamethasone from human Glucocorticoid receptor


J Med Chem 45: 2417-24 (2002)


Article DOI: 10.1021/jm0105530
BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50151061
PNG
((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-[2-({4...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C53H73NO7/c1-7-53(60)23-21-42-39-15-11-33-26-36(55)14-16-38(33)48(39)40(30-51(42,53)4)32-9-12-35(13-10-32)54(6)24-25-61-37-20-22-50(3)34(27-37)28-45(56)49-43-18-17-41(31(2)8-19-47(58)59)52(43,5)46(57)29-44(49)50/h1,9-10,12-13,26,31,34,37,39-46,49,56-57,60H,8,11,14-25,27-30H2,2-6H3,(H,58,59)/t31-,34+,37?,39+,40-,41-,42+,43+,44+,45-,46+,49+,50+,51+,52-,53+/m1/s1
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0.270n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
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 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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0.299n/an/an/an/an/an/an/an/a



Eli Lilly Biotechnology Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competiti...


J Med Chem 58: 6607-18 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00736
BindingDB Entry DOI: 10.7270/Q2ST7RMV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50151076
PNG
((4R)-4-[(1S,2S,7R,10R,11S,14R,15R,16S)-5-[2-({4-[(...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C53H73NO6/c1-7-53(59)25-23-44-41-16-11-34-28-37(55)15-18-39(34)49(41)42(31-51(44,53)4)33-9-13-36(14-10-33)54(6)26-27-60-38-22-24-50(3)35(29-38)12-17-40-45-20-19-43(32(2)8-21-48(57)58)52(45,5)47(56)30-46(40)50/h1,9-10,13-14,28,32,35,38,40-47,56,59H,8,11-12,15-27,29-31H2,2-6H3,(H,57,58)/t32-,35-,38?,40+,41+,42-,43-,44+,45+,46+,47+,50+,51+,52-,53+/m1/s1
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0.380n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid receptor dependent alkaline phosphatase activity


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
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 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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0.400n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
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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0.400n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50151063
PNG
(2-[(4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-[2-...)
Show SMILES C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C55H76N2O8/c1-7-55(64)23-21-43-40-15-11-34-26-37(58)14-16-39(34)50(40)41(30-53(43,55)4)33-9-12-36(13-10-33)57(6)24-25-65-38-20-22-52(3)35(27-38)28-46(59)51-44-18-17-42(54(44,5)47(60)29-45(51)52)32(2)8-19-48(61)56-31-49(62)63/h1,9-10,12-13,26,32,35,38,40-47,51,59-60,64H,8,11,14-25,27-31H2,2-6H3,(H,56,61)(H,62,63)/t32-,35+,38?,40+,41-,42-,43+,44+,45+,46-,47+,51+,52+,53+,54-,55+/m1/s1
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0.420n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
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 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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0.440n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid receptor dependent alkaline phosphatase activity


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
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 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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0.580n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity determined for human Progesterone receptor A isoform


J Med Chem 39: 1778-89 (1996)


Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
progesterone


(RAT)
BDBM86689
PNG
(CAS_84371-65-3 | NSC_55245 | RU-486)
Show SMILES CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)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
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0.640n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 191-200 (2005)


Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68
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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0.640n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM86689
PNG
(CAS_84371-65-3 | NSC_55245 | RU-486)
Show SMILES CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)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
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0.650n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 191-200 (2005)


Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68
More data for this
Ligand-Target Pair
Androgen 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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0.650n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human androgen receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50151061
PNG
((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-[2-({4...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C53H73NO7/c1-7-53(60)23-21-42-39-15-11-33-26-36(55)14-16-38(33)48(39)40(30-51(42,53)4)32-9-12-35(13-10-32)54(6)24-25-61-37-20-22-50(3)34(27-37)28-45(56)49-43-18-17-41(31(2)8-19-47(58)59)52(43,5)46(57)29-44(49)50/h1,9-10,12-13,26,31,34,37,39-46,49,56-57,60H,8,11,14-25,27-30H2,2-6H3,(H,58,59)/t31-,34+,37?,39+,40-,41-,42+,43+,44+,45-,46+,49+,50+,51+,52-,53+/m1/s1
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0.670n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
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 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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0.680n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for human glucocorticoid receptor(hGR).


J Med Chem 39: 1778-89 (1996)


Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50151077
PNG
((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R)-5-[2-({4-[(1...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3CC[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C53H73NO6/c1-7-53(59)25-22-43-40-15-11-34-28-37(55)14-16-39(34)48(40)41(31-52(43,53)5)33-9-12-36(13-10-33)54(6)26-27-60-38-20-23-50(3)35(29-38)30-46(56)49-44-18-17-42(32(2)8-19-47(57)58)51(44,4)24-21-45(49)50/h1,9-10,12-13,28,32,35,38,40-46,49,56,59H,8,11,14-27,29-31H2,2-6H3,(H,57,58)/t32-,35+,38?,40+,41-,42-,43+,44+,45+,46-,49+,50+,51-,52+,53+/m1/s1
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0.760n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid receptor dependent alkaline phosphatase activity


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50151061
PNG
((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-[2-({4...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C53H73NO7/c1-7-53(60)23-21-42-39-15-11-33-26-36(55)14-16-38(33)48(39)40(30-51(42,53)4)32-9-12-35(13-10-32)54(6)24-25-61-37-20-22-50(3)34(27-37)28-45(56)49-43-18-17-41(31(2)8-19-47(58)59)52(43,5)46(57)29-44(49)50/h1,9-10,12-13,26,31,34,37,39-46,49,56-57,60H,8,11,14-25,27-30H2,2-6H3,(H,58,59)/t31-,34+,37?,39+,40-,41-,42+,43+,44+,45-,46+,49+,50+,51+,52-,53+/m1/s1
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0.810n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
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 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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0.820n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor in SW1353 cells by whole-cell binding assay


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
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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0.840n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor after 16 hrs by scintillation counting


Bioorg Med Chem 18: 4255-68 (2010)


Article DOI: 10.1016/j.bmc.2010.04.092
BindingDB Entry DOI: 10.7270/Q2QN67RQ
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 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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0.998n/an/an/an/an/an/an/an/a



Eli Lilly Biotechnology Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-progesterone from human progesterone receptor expressed in HEK293 cells by scintillation counting based radioligand competition ...


J Med Chem 58: 6607-18 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00736
BindingDB Entry DOI: 10.7270/Q2ST7RMV
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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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)
Progesterone receptor


(Homo sapiens (Human))
BDBM50151063
PNG
(2-[(4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-[2-...)
Show SMILES C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C55H76N2O8/c1-7-55(64)23-21-43-40-15-11-34-26-37(58)14-16-39(34)50(40)41(30-53(43,55)4)33-9-12-36(13-10-33)57(6)24-25-65-38-20-22-52(3)35(27-38)28-46(59)51-44-18-17-42(54(44,5)47(60)29-45(51)52)32(2)8-19-48(61)56-31-49(62)63/h1,9-10,12-13,26,32,35,38,40-47,51,59-60,64H,8,11,14-25,27-31H2,2-6H3,(H,56,61)(H,62,63)/t32-,35+,38?,40+,41-,42-,43+,44+,45+,46-,47+,51+,52+,53+,54-,55+/m1/s1
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1n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
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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1.10n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human progesterone receptor.


Bioorg Med Chem Lett 13: 2075-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00256-7
BindingDB Entry DOI: 10.7270/Q2P55P2M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50151068
PNG
((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-[3-({4...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C54H75NO7/c1-7-54(61)24-22-43-40-16-12-34-27-37(56)15-17-39(34)49(40)41(31-52(43,54)4)33-10-13-36(14-11-33)55(6)25-8-26-62-38-21-23-51(3)35(28-38)29-46(57)50-44-19-18-42(32(2)9-20-48(59)60)53(44,5)47(58)30-45(50)51/h1,10-11,13-14,27,32,35,38,40-47,50,57-58,61H,8-9,12,15-26,28-31H2,2-6H3,(H,59,60)/t32-,35+,38?,40+,41-,42-,43+,44+,45+,46-,47+,50+,51+,52+,53-,54+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid receptor dependent alkaline phosphatase activity


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50151061
PNG
((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-[2-({4...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C53H73NO7/c1-7-53(60)23-21-42-39-15-11-33-26-36(55)14-16-38(33)48(39)40(30-51(42,53)4)32-9-12-35(13-10-32)54(6)24-25-61-37-20-22-50(3)34(27-37)28-45(56)49-43-18-17-41(31(2)8-19-47(58)59)52(43,5)46(57)29-44(49)50/h1,9-10,12-13,26,31,34,37,39-46,49,56-57,60H,8,11,14-25,27-30H2,2-6H3,(H,58,59)/t31-,34+,37?,39+,40-,41-,42+,43+,44+,45-,46+,49+,50+,51+,52-,53+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid receptor dependent alkaline phosphatase activity


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
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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1.10n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human progesterone receptor


Bioorg Med Chem Lett 13: 2071-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00255-5
BindingDB Entry DOI: 10.7270/Q2SX6DSM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM50072024
PNG
((11R,13S,14S,17S)-11-(4-Dimethylamino-phenyl)-17-h...)
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+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor-A (hPR-A)


Bioorg Med Chem Lett 8: 2731-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00482-x
BindingDB Entry DOI: 10.7270/Q2QF8S1M
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50151068
PNG
((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-[3-({4...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C54H75NO7/c1-7-54(61)24-22-43-40-16-12-34-27-37(56)15-17-39(34)49(40)41(31-52(43,54)4)33-10-13-36(14-11-33)55(6)25-8-26-62-38-21-23-51(3)35(28-38)29-46(57)50-44-19-18-42(32(2)9-20-48(59)60)53(44,5)47(58)30-45(50)51/h1,10-11,13-14,27,32,35,38,40-47,50,57-58,61H,8-9,12,15-26,28-31H2,2-6H3,(H,59,60)/t32-,35+,38?,40+,41-,42-,43+,44+,45+,46-,47+,50+,51+,52+,53-,54+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
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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1.10n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Baculovirus-Expressed hPR-A


J Med Chem 41: 3461-6 (1998)


Article DOI: 10.1021/jm9801915
BindingDB Entry DOI: 10.7270/Q2KD1ZKM
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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1.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of radiolabeled Dexamethasone from human GR


Bioorg Med Chem Lett 17: 40-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G
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 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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1.10n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor was measured


Bioorg Med Chem Lett 11: 2747-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00554-6
BindingDB Entry DOI: 10.7270/Q2222V92
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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1.20n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at GR in SW1353/MMTV5 cells assessed as inhibition of dexamethasone-induced luciferase expression


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
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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1.20n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor in SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression by MMTV5 r...


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50151064
PNG
((4R)-4-[(1S,2S,7R,10R,11S,14R,15R)-5-[2-({4-[(10S,...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(CC[C@]4(C)[C@H]3CC[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C53H73NO5/c1-7-53(58)27-24-47-42-16-11-35-30-38(55)15-18-40(35)49(42)43(32-52(47,53)5)34-9-13-37(14-10-34)54(6)28-29-59-39-22-25-50(3)36(31-39)12-17-41-45-20-19-44(33(2)8-21-48(56)57)51(45,4)26-23-46(41)50/h1,9-10,13-14,30,33,36,39,41-47,58H,8,11-12,15-29,31-32H2,2-6H3,(H,56,57)/t33-,36-,39?,41+,42+,43-,44-,45+,46+,47+,50+,51-,52+,53+/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid receptor dependent alkaline phosphatase activity


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50151061
PNG
((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-[2-({4...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C53H73NO7/c1-7-53(60)23-21-42-39-15-11-33-26-36(55)14-16-38(33)48(39)40(30-51(42,53)4)32-9-12-35(13-10-32)54(6)24-25-61-37-20-22-50(3)34(27-37)28-45(56)49-43-18-17-41(31(2)8-19-47(58)59)52(43,5)46(57)29-44(49)50/h1,9-10,12-13,26,31,34,37,39-46,49,56-57,60H,8,11,14-25,27-30H2,2-6H3,(H,58,59)/t31-,34+,37?,39+,40-,41-,42+,43+,44+,45-,46+,49+,50+,51+,52-,53+/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50197432
PNG
((4R)-4-[(1S,2S,5S,7R,9R,10R,11R,14R,16S)-9,16-dihy...)
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)CCO[C@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](O)[C@@H]1[C@@H]2C[C@H](O)C2[C@H](CC[C@@]12C)[C@H](C)CCC(O)=O
Show InChI InChI=1S/C54H75NO7/c1-7-21-54(61)24-20-43-41-15-11-34-27-37(56)14-16-40(34)48(41)42(31-53(43,54)5)33-9-12-36(13-10-33)55(6)25-26-62-38-18-22-51(3)35(28-38)29-45(57)50-44(51)30-46(58)49-39(19-23-52(49,50)4)32(2)8-17-47(59)60/h9-10,12-13,27,32,35,38-39,41-46,49-50,57-58,61H,8,11,14-20,22-26,28-31H2,1-6H3,(H,59,60)/t32-,35+,38+,39-,41+,42-,43+,44+,45-,46+,49?,50+,51+,52-,53+,54+/m1/s1
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4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of radiolabeled Dexamethasone from human GR


Bioorg Med Chem Lett 17: 40-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50151068
PNG
((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-[3-({4...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C54H75NO7/c1-7-54(61)24-22-43-40-16-12-34-27-37(56)15-17-39(34)49(40)41(31-52(43,54)4)33-10-13-36(14-11-33)55(6)25-8-26-62-38-21-23-51(3)35(28-38)29-46(57)50-44-19-18-42(32(2)9-20-48(59)60)53(44,5)47(58)30-45(50)51/h1,10-11,13-14,27,32,35,38,40-47,50,57-58,61H,8-9,12,15-26,28-31H2,2-6H3,(H,59,60)/t32-,35+,38?,40+,41-,42-,43+,44+,45+,46-,47+,50+,51+,52+,53-,54+/m1/s1
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4.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human androgen receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
Androgen 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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4.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor


J Med Chem 45: 2417-24 (2002)


Article DOI: 10.1021/jm0105530
BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50197426
PNG
(5-{[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3...)
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)CCCCC(O)=O
Show InChI InChI=1S/C33H41NO4/c1-4-17-33(38)18-16-29-27-14-10-23-20-25(35)13-15-26(23)31(27)28(21-32(29,33)2)22-8-11-24(12-9-22)34(3)19-6-5-7-30(36)37/h8-9,11-12,20,27-29,38H,5-7,10,13-16,18-19,21H2,1-3H3,(H,36,37)/t27-,28+,29-,32-,33-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of radiolabeled Dexamethasone from human GR


Bioorg Med Chem Lett 17: 40-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G
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 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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5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GR expressed in hGRAF cells


Bioorg Med Chem Lett 17: 40-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen 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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6n/an/an/an/an/an/an/an/a



Eli Lilly Biotechnology Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyltrienolone from human androgen receptor expressed in HEK293 cells by scintillation counting based radioligand competition ...


J Med Chem 58: 6607-18 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00736
BindingDB Entry DOI: 10.7270/Q2ST7RMV
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 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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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50151061
PNG
((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-[2-({4...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C53H73NO7/c1-7-53(60)23-21-42-39-15-11-33-26-36(55)14-16-38(33)48(39)40(30-51(42,53)4)32-9-12-35(13-10-32)54(6)24-25-61-37-20-22-50(3)34(27-37)28-45(56)49-43-18-17-41(31(2)8-19-47(58)59)52(43,5)46(57)29-44(49)50/h1,9-10,12-13,26,31,34,37,39-46,49,56-57,60H,8,11,14-25,27-30H2,2-6H3,(H,58,59)/t31-,34+,37?,39+,40-,41-,42+,43+,44+,45-,46+,49+,50+,51+,52-,53+/m1/s1
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8.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human androgen receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
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