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Compile Data Set for Download or QSAR

Found 1074 hits with Last Name = 'goos-nilsson' and Initial = 'a'   
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


(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))
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 receptor


(Homo sapiens (Human))
BDBM50151078
PNG
((4R)-4-[(1S,2S,5S,7R,9R,10R,11S,14R,15R,16S)-5-[3-...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@](O)(CCCN(C)c5ccc(cc5)[C@H]5C[C@@]6(C)[C@@H](CC[C@@]6(O)C#C)[C@@H]6CCC7=CC(=O)CCC7=C56)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C54H75NO7/c1-7-54(62)23-21-42-39-16-12-34-27-37(56)15-17-38(34)48(39)40(31-51(42,54)4)33-10-13-36(14-11-33)55(6)26-8-22-53(61)25-24-50(3)35(30-53)28-45(57)49-43-19-18-41(32(2)9-20-47(59)60)52(43,5)46(58)29-44(49)50/h1,10-11,13-14,27,32,35,39-46,49,57-58,61-62H,8-9,12,15-26,28-31H2,2-6H3,(H,59,60)/t32-,35-,39+,40-,41-,42+,43+,44+,45-,46+,49+,50+,51+,52-,53-,54+/m1/s1
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0.110n/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))
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))
BDBM50410188
PNG
(CHEMBL2096708)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCOCCN(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/C55H77NO8/c1-7-55(62)23-21-44-41-15-11-35-28-38(57)14-16-40(35)50(41)42(32-53(44,55)4)34-9-12-37(13-10-34)56(6)24-25-63-26-27-64-39-20-22-52(3)36(29-39)30-47(58)51-45-18-17-43(33(2)8-19-49(60)61)54(45,5)48(59)31-46(51)52/h1,9-10,12-13,28,33,36,39,41-48,51,58-59,62H,8,11,14-27,29-32H2,2-6H3,(H,60,61)/t33-,36+,39+,41+,42-,43-,44+,45+,46+,47-,48+,51+,52+,53+,54-,55+/m1/s1
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0.170n/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))
BDBM50410187
PNG
(CHEMBL2096804)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCOCCN(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/C55H77NO8/c1-7-55(62)23-21-44-41-15-11-35-28-38(57)14-16-40(35)50(41)42(32-53(44,55)4)34-9-12-37(13-10-34)56(6)24-25-63-26-27-64-39-20-22-52(3)36(29-39)30-47(58)51-45-18-17-43(33(2)8-19-49(60)61)54(45,5)48(59)31-46(51)52/h1,9-10,12-13,28,33,36,39,41-48,51,58-59,62H,8,11,14-27,29-32H2,2-6H3,(H,60,61)/t33-,36+,39-,41+,42-,43-,44+,45+,46+,47-,48+,51+,52+,53+,54-,55+/m1/s1
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0.210n/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))
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


(RAT)
BDBM86690
PNG
(A 348441 | A-348441)
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]1CCC2C(C1)C[C@@H](O)C1C3CCC(C(C)CCC(O)=O)C3[C@@H](O)CC21
Show InChI InChI=1S/C52H71NO7/c1-5-21-52(59)22-20-44-40-14-9-32-25-35(54)12-15-39(32)48(40)43(29-51(44,52)3)31-7-10-34(11-8-31)53(4)23-24-60-36-13-16-38-33(26-36)27-45(55)50-41-18-17-37(30(2)6-19-47(57)58)49(41)46(56)28-42(38)50/h7-8,10-11,25,30,33,36-38,40-46,49-50,55-56,59H,6,9,12-20,22-24,26-29H2,1-4H3,(H,57,58)/t30?,33?,36-,37?,38?,40-,41?,42?,43+,44-,45+,46-,49?,50?,51-,52-/m0/s1
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0.270n/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50151059
PNG
(2-[(4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-[2-...)
Show SMILES C[C@H](CCC(=O)NCCS(O)(=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/C55H78N2O9S/c1-7-55(62)23-21-44-41-15-11-35-28-38(58)14-16-40(35)50(41)42(32-53(44,55)4)34-9-12-37(13-10-34)57(6)25-26-66-39-20-22-52(3)36(29-39)30-47(59)51-45-18-17-43(54(45,5)48(60)31-46(51)52)33(2)8-19-49(61)56-24-27-67(63,64)65/h1,9-10,12-13,28,33,36,39,41-48,51,59-60,62H,8,11,14-27,29-32H2,2-6H3,(H,56,61)(H,63,64,65)/t33-,36+,39?,41+,42-,43-,44+,45+,46+,47-,48+,51+,52+,53+,54-,55+/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))
BDBM50151067
PNG
((4R)-4-[(1S,2S,7S,9R,10R,11S,14R,15R,16S)-5-[4-({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)N(C)C(=O)CCCN(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/C56H78N2O7/c1-8-56(65)26-24-44-41-18-14-35-28-39(59)17-19-40(35)51(41)42(32-54(44,56)4)34-12-15-37(16-13-34)57(6)27-9-10-49(62)58(7)38-23-25-53(3)36(29-38)30-47(60)52-45-21-20-43(33(2)11-22-50(63)64)55(45,5)48(61)31-46(52)53/h1,12-13,15-16,28,33,36,38,41-48,52,60-61,65H,9-11,14,17-27,29-32H2,2-7H3,(H,63,64)/t33-,36+,38?,41+,42-,43-,44+,45+,46+,47-,48+,52+,53+,54+,55-,56+/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))
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))
BDBM50151060
PNG
((4R)-4-[(1S,2S,7S,9R,10R,11S,14R,15R,16S)-5-({[2-(...)
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)N(C)C(=O)NCCN(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/C55H77N3O7/c1-8-55(65)24-22-43-40-16-12-34-27-38(59)15-17-39(34)49(40)41(31-53(43,55)4)33-10-13-36(14-11-33)57(6)26-25-56-51(64)58(7)37-21-23-52(3)35(28-37)29-46(60)50-44-19-18-42(32(2)9-20-48(62)63)54(44,5)47(61)30-45(50)52/h1,10-11,13-14,27,32,35,37,40-47,50,60-61,65H,9,12,15-26,28-31H2,2-7H3,(H,56,64)(H,62,63)/t32-,35+,37?,40+,41-,42-,43+,44+,45+,46-,47+,50+,52+,53+,54-,55+/m1/s1
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0.300n/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))
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
Progesterone receptor


(Homo sapiens (Human))
BDBM50151069
PNG
((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-({[2-(...)
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)OC(=O)NCCN(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/C54H74N2O8/c1-7-54(63)23-21-42-39-15-11-33-26-36(57)14-16-38(33)48(39)40(30-52(42,54)4)32-9-12-35(13-10-32)56(6)25-24-55-50(62)64-37-20-22-51(3)34(27-37)28-45(58)49-43-18-17-41(31(2)8-19-47(60)61)53(43,5)46(59)29-44(49)51/h1,9-10,12-13,26,31,34,37,39-46,49,58-59,63H,8,11,14-25,27-30H2,2-6H3,(H,55,62)(H,60,61)/t31-,34+,37?,39+,40-,41-,42+,43+,44+,45-,46+,49+,51+,52+,53-,54+/m1/s1
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0.390n/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))
BDBM50151069
PNG
((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-({[2-(...)
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)OC(=O)NCCN(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/C54H74N2O8/c1-7-54(63)23-21-42-39-15-11-33-26-36(57)14-16-38(33)48(39)40(30-52(42,54)4)32-9-12-35(13-10-32)56(6)25-24-55-50(62)64-37-20-22-51(3)34(27-37)28-45(58)49-43-18-17-41(31(2)8-19-47(60)61)53(43,5)46(59)29-44(49)51/h1,9-10,12-13,26,31,34,37,39-46,49,58-59,63H,8,11,14-25,27-30H2,2-6H3,(H,55,62)(H,60,61)/t31-,34+,37?,39+,40-,41-,42+,43+,44+,45-,46+,49+,51+,52+,53-,54+/m1/s1
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0.390n/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))
BDBM50151074
PNG
(CHEMBL364368 | N-[4-((2R,8S,13S,14S,17R)-17-Ethyny...)
Show SMILES CN(C(C)=O)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/C29H33NO3/c1-5-29(33)15-14-26-24-12-8-20-16-22(32)11-13-23(20)27(24)25(17-28(26,29)3)19-6-9-21(10-7-19)30(4)18(2)31/h1,6-7,9-10,16,24-26,33H,8,11-15,17H2,2-4H3/t24-,25+,26-,28-,29-/m0/s1
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0.400n/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))
BDBM50151065
PNG
((4R)-4-[(1S,2S,7S,9R,10R,11S,14R,15R,16S)-9,16-dih...)
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)N(C)S(=O)(=O)CCCN(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/C55H78N2O8S/c1-8-55(63)25-23-44-41-17-13-35-28-39(58)16-18-40(35)50(41)42(32-53(44,55)4)34-11-14-37(15-12-34)56(6)26-9-27-66(64,65)57(7)38-22-24-52(3)36(29-38)30-47(59)51-45-20-19-43(33(2)10-21-49(61)62)54(45,5)48(60)31-46(51)52/h1,11-12,14-15,28,33,36,38,41-48,51,59-60,63H,9-10,13,16-27,29-32H2,2-7H3,(H,61,62)/t33-,36+,38?,41+,42-,43-,44+,45+,46+,47-,48+,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))
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))
BDBM50410188
PNG
(CHEMBL2096708)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCOCCN(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/C55H77NO8/c1-7-55(62)23-21-44-41-15-11-35-28-38(57)14-16-40(35)50(41)42(32-53(44,55)4)34-9-12-37(13-10-34)56(6)24-25-63-26-27-64-39-20-22-52(3)36(29-39)30-47(58)51-45-18-17-43(33(2)8-19-49(60)61)54(45,5)48(59)31-46(51)52/h1,9-10,12-13,28,33,36,39,41-48,51,58-59,62H,8,11,14-27,29-32H2,2-6H3,(H,60,61)/t33-,36+,39+,41+,42-,43-,44+,45+,46+,47-,48+,51+,52+,53+,54-,55+/m1/s1
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0.480n/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))
BDBM50197428
PNG
(4-[(2-{[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-meth...)
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)CC(=O)N(C)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C38H42N2O5/c1-5-19-38(45)20-18-33-31-16-10-26-21-29(41)15-17-30(26)35(31)32(22-37(33,38)2)24-6-11-27(12-7-24)39(3)23-34(42)40(4)28-13-8-25(9-14-28)36(43)44/h6-9,11-14,21,31-33,45H,10,15-18,20,22-23H2,1-4H3,(H,43,44)/t31-,32+,33-,37-,38-/m0/s1
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0.5n/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50151059
PNG
(2-[(4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-[2-...)
Show SMILES C[C@H](CCC(=O)NCCS(O)(=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/C55H78N2O9S/c1-7-55(62)23-21-44-41-15-11-35-28-38(58)14-16-40(35)50(41)42(32-53(44,55)4)34-9-12-37(13-10-34)57(6)25-26-66-39-20-22-52(3)36(29-39)30-47(59)51-45-18-17-43(54(45,5)48(60)31-46(51)52)33(2)8-19-49(61)56-24-27-67(63,64)65/h1,9-10,12-13,28,33,36,39,41-48,51,59-60,62H,8,11,14-27,29-32H2,2-6H3,(H,56,61)(H,63,64,65)/t33-,36+,39?,41+,42-,43-,44+,45+,46+,47-,48+,51+,52+,53+,54-,55+/m1/s1
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0.530n/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))
BDBM50197435
PNG
(CHEMBL387814 | [4-({[4-((9S,11R,13S,14S,17S)-17-hy...)
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)Cc1ccc(cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C38H42N2O5/c1-4-18-38(45)19-17-33-31-15-11-27-20-29(41)14-16-30(27)35(31)32(21-37(33,38)2)25-9-12-28(13-10-25)40(3)23-24-5-7-26(8-6-24)36(44)39-22-34(42)43/h5-10,12-13,20,31-33,45H,11,14-17,19,21-23H2,1-3H3,(H,39,44)(H,42,43)/t31-,32+,33-,37-,38-/m0/s1
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0.600n/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
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))
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50151072
PNG
((4R)-4-[(1S,2S,5R,6R,7R,9R,10R,11S,14R,15R,16S)-6-...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4[C@@H](CCCN(C)c5ccc(cc5)[C@H]5C[C@@]6(C)[C@@H](CC[C@@]6(O)C#C)[C@@H]6CCC7=CC(=O)CCC7=C56)[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C54H75NO7/c1-7-54(62)25-22-41-38-17-13-33-27-35(56)16-18-36(33)49(38)39(30-52(41,54)4)32-11-14-34(15-12-32)55(6)26-8-9-37-43-28-46(58)50-42-20-19-40(31(2)10-21-48(60)61)53(42,5)47(59)29-44(50)51(43,3)24-23-45(37)57/h1,11-12,14-15,27,31,37-47,50,57-59,62H,8-10,13,16-26,28-30H2,2-6H3,(H,60,61)/t31-,37-,38+,39-,40-,41+,42+,43-,44+,45-,46-,47+,50+,51+,52+,53-,54+/m1/s1
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0.800n/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
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
progesterone


(RAT)
BDBM86690
PNG
(A 348441 | A-348441)
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]1CCC2C(C1)C[C@@H](O)C1C3CCC(C(C)CCC(O)=O)C3[C@@H](O)CC21
Show InChI InChI=1S/C52H71NO7/c1-5-21-52(59)22-20-44-40-14-9-32-25-35(54)12-15-39(32)48(40)43(29-51(44,52)3)31-7-10-34(11-8-31)53(4)23-24-60-36-13-16-38-33(26-36)27-45(55)50-41-18-17-37(30(2)6-19-47(57)58)49(41)46(56)28-42(38)50/h7-8,10-11,25,30,33,36-38,40-46,49-50,55-56,59H,6,9,12-20,22-24,26-29H2,1-4H3,(H,57,58)/t30?,33?,36-,37?,38?,40-,41?,42?,43+,44-,45+,46-,49?,50?,51-,52-/m0/s1
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0.810n/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50197433
PNG
(4-{[(4-bromo-phenyl)-(2-{[4-((9S,11R,13S,14S,17S)-...)
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)CC(=O)N(Cc1ccc(cc1)C(O)=O)c1ccc(Br)cc1
Show InChI InChI=1S/C44H45BrN2O5/c1-4-22-44(52)23-21-39-37-19-11-31-24-35(48)18-20-36(31)41(37)38(25-43(39,44)2)29-9-14-33(15-10-29)46(3)27-40(49)47(34-16-12-32(45)13-17-34)26-28-5-7-30(8-6-28)42(50)51/h5-10,12-17,24,37-39,52H,11,18-21,23,25-27H2,1-3H3,(H,50,51)/t37-,38+,39-,43-,44-/m0/s1
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0.900n/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50151067
PNG
((4R)-4-[(1S,2S,7S,9R,10R,11S,14R,15R,16S)-5-[4-({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)N(C)C(=O)CCCN(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/C56H78N2O7/c1-8-56(65)26-24-44-41-18-14-35-28-39(59)17-19-40(35)51(41)42(32-54(44,56)4)34-12-15-37(16-13-34)57(6)27-9-10-49(62)58(7)38-23-25-53(3)36(29-38)30-47(60)52-45-21-20-43(33(2)11-22-50(63)64)55(45,5)48(61)31-46(52)53/h1,12-13,15-16,28,33,36,38,41-48,52,60-61,65H,9-11,14,17-27,29-32H2,2-7H3,(H,63,64)/t33-,36+,38?,41+,42-,43-,44+,45+,46+,47-,48+,52+,53+,54+,55-,56+/m1/s1
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0.960n/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))
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50197434
PNG
(4-{[benzyl-(2-{[4-((9S,11R,13S,14S,17S)-17-hydroxy...)
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)CC(=O)N(Cc1ccccc1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C45H48N2O5/c1-4-23-45(52)24-22-40-38-20-16-34-25-36(48)19-21-37(34)42(38)39(26-44(40,45)2)32-14-17-35(18-15-32)46(3)29-41(49)47(27-30-8-6-5-7-9-30)28-31-10-12-33(13-11-31)43(50)51/h5-15,17-18,25,38-40,52H,16,19-22,24,26-29H2,1-3H3,(H,50,51)/t38-,39+,40-,44-,45-/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
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)
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))
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50151070
PNG
((4R)-4-[(1S,2S,7S,9R,10R,11S,14R,15R,16S)-9-({[({4...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4CC(O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCC(=O)N(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/C54H72N2O9/c1-7-54(64)23-21-41-38-15-11-32-24-35(57)14-16-37(32)48(38)39(28-52(41,54)4)31-9-12-34(13-10-31)56(6)46(60)29-55-50(63)65-44-26-33-25-36(58)20-22-51(33,3)43-27-45(59)53(5)40(17-18-42(53)49(43)44)30(2)8-19-47(61)62/h1,9-10,12-13,24,30,33,36,38-45,49,58-59,64H,8,11,14-23,25-29H2,2-6H3,(H,55,63)(H,61,62)/t30-,33+,36?,38+,39-,40-,41+,42+,43+,44-,45+,49+,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 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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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))
BDBM50410188
PNG
(CHEMBL2096708)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCOCCN(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/C55H77NO8/c1-7-55(62)23-21-44-41-15-11-35-28-38(57)14-16-40(35)50(41)42(32-53(44,55)4)34-9-12-37(13-10-34)56(6)24-25-63-26-27-64-39-20-22-52(3)36(29-39)30-47(58)51-45-18-17-43(33(2)8-19-49(60)61)54(45,5)48(59)31-46(51)52/h1,9-10,12-13,28,33,36,39,41-48,51,58-59,62H,8,11,14-27,29-32H2,2-6H3,(H,60,61)/t33-,36+,39+,41+,42-,43-,44+,45+,46+,47-,48+,51+,52+,53+,54-,55+/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))
BDBM50151073
PNG
((2S)-4-({4-[(10S,11S,14R,15S,17R)-14-ethynyl-14-hy...)
Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C56H76N2O9/c1-7-56(67)25-23-42-39-15-11-33-26-36(59)14-16-38(33)50(39)40(30-54(42,56)4)32-9-12-35(13-10-32)58(6)49(64)21-19-45(52(65)66)57-48(63)20-8-31(2)41-17-18-43-51-44(29-47(62)55(41,43)5)53(3)24-22-37(60)27-34(53)28-46(51)61/h1,9-10,12-13,26,31,34,37,39-47,51,60-62,67H,8,11,14-25,27-30H2,2-6H3,(H,57,63)(H,65,66)/t31-,34+,37-,39+,40-,41-,42+,43+,44+,45+,46-,47+,51+,53+,54+,55-,56+/m1/s1
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1.20n/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))
BDBM50151067
PNG
((4R)-4-[(1S,2S,7S,9R,10R,11S,14R,15R,16S)-5-[4-({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)N(C)C(=O)CCCN(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/C56H78N2O7/c1-8-56(65)26-24-44-41-18-14-35-28-39(59)17-19-40(35)51(41)42(32-54(44,56)4)34-12-15-37(16-13-34)57(6)27-9-10-49(62)58(7)38-23-25-53(3)36(29-38)30-47(60)52-45-21-20-43(33(2)11-22-50(63)64)55(45,5)48(61)31-46(52)53/h1,12-13,15-16,28,33,36,38,41-48,52,60-61,65H,9-11,14,17-27,29-32H2,2-7H3,(H,63,64)/t33-,36+,38?,41+,42-,43-,44+,45+,46+,47-,48+,52+,53+,54+,55-,56+/m1/s1
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1.20n/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))
BDBM50151071
PNG
((4R)-4-[(1S,2S,7S,9R,10R,11S,14R,15R,16S)-9-({[2-(...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4CC(O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCCN(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/C54H74N2O8/c1-7-54(63)23-21-42-39-15-11-33-26-36(57)14-16-38(33)48(39)40(30-52(42,54)4)32-9-12-35(13-10-32)56(6)25-24-55-50(62)64-45-28-34-27-37(58)20-22-51(34,3)44-29-46(59)53(5)41(17-18-43(53)49(44)45)31(2)8-19-47(60)61/h1,9-10,12-13,26,31,34,37,39-46,49,58-59,63H,8,11,14-25,27-30H2,2-6H3,(H,55,62)(H,60,61)/t31-,34+,37?,39+,40-,41-,42+,43+,44+,45-,46+,49+,51+,52+,53-,54+/m1/s1
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1.20n/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))
BDBM50151069
PNG
((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-({[2-(...)
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)OC(=O)NCCN(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/C54H74N2O8/c1-7-54(63)23-21-42-39-15-11-33-26-36(57)14-16-38(33)48(39)40(30-52(42,54)4)32-9-12-35(13-10-32)56(6)25-24-55-50(62)64-37-20-22-51(3)34(27-37)28-45(58)49-43-18-17-41(31(2)8-19-47(60)61)53(43,5)46(59)29-44(49)51/h1,9-10,12-13,26,31,34,37,39-46,49,58-59,63H,8,11,14-25,27-30H2,2-6H3,(H,55,62)(H,60,61)/t31-,34+,37?,39+,40-,41-,42+,43+,44+,45-,46+,49+,51+,52+,53-,54+/m1/s1
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1.40n/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))
BDBM50151074
PNG
(CHEMBL364368 | N-[4-((2R,8S,13S,14S,17R)-17-Ethyny...)
Show SMILES CN(C(C)=O)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/C29H33NO3/c1-5-29(33)15-14-26-24-12-8-20-16-22(32)11-13-23(20)27(24)25(17-28(26,29)3)19-6-9-21(10-7-19)30(4)18(2)31/h1,6-7,9-10,16,24-26,33H,8,11-15,17H2,2-4H3/t24-,25+,26-,28-,29-/m0/s1
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1.40n/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))
BDBM50410187
PNG
(CHEMBL2096804)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCOCCN(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/C55H77NO8/c1-7-55(62)23-21-44-41-15-11-35-28-38(57)14-16-40(35)50(41)42(32-53(44,55)4)34-9-12-37(13-10-34)56(6)24-25-63-26-27-64-39-20-22-52(3)36(29-39)30-47(58)51-45-18-17-43(33(2)8-19-49(60)61)54(45,5)48(59)31-46(51)52/h1,9-10,12-13,28,33,36,39,41-48,51,58-59,62H,8,11,14-27,29-32H2,2-6H3,(H,60,61)/t33-,36+,39-,41+,42-,43-,44+,45+,46+,47-,48+,51+,52+,53+,54-,55+/m1/s1
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1.70n/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
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