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38 similar compounds to monomer 18627

Compile data set for download or QSAR
Wt: 427.6
BDBM68290
Wt: 429.5
BDBM86689
Purchase
Wt: 822.1
BDBM86690
Wt: 429.5
BDBM50072024
Purchase
Wt: 850.1
BDBM50151072
Wt: 443.5
BDBM50151074
Wt: 850.1
BDBM50195155
Wt: 563.7
BDBM50197425
Wt: 515.6
BDBM50197426
Wt: 549.6
BDBM50197427
Wt: 850.1
BDBM50197432
Wt: 415.5
BDBM50292750
Purchase
Wt: 457.6
BDBM50292753
Wt: 499.7
BDBM50292754
Wt: 541.8
BDBM50292755
Displayed 1 to 15 (of 38 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 58 hits for monomerid = 68290,86689,86690,50072024,50151072,50151074,50195155,50197425,50197426,50197427,50197432,50292750,50292753,50292754,50292755   
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


(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


(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))
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
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
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
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


(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
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
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50197427
PNG
(4-({[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-methyl-...)
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)=O
Show InChI InChI=1S/C36H39NO4/c1-4-18-36(41)19-17-32-30-15-11-26-20-28(38)14-16-29(26)33(30)31(21-35(32,36)2)24-9-12-27(13-10-24)37(3)22-23-5-7-25(8-6-23)34(39)40/h5-10,12-13,20,30-32,41H,11,14-17,19,21-22H2,1-3H3,(H,39,40)/t30-,31+,32-,35-,36-/m0/s1
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1.80n/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))
BDBM50197425
PNG
(CHEMBL440227 | [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(CC(O)=O)cc1
Show InChI InChI=1S/C37H41NO4/c1-4-18-37(42)19-17-33-31-15-11-27-21-29(39)14-16-30(27)35(31)32(22-36(33,37)2)26-9-12-28(13-10-26)38(3)23-25-7-5-24(6-8-25)20-34(40)41/h5-10,12-13,21,31-33,42H,11,14-17,19-20,22-23H2,1-3H3,(H,40,41)/t31-,32+,33-,36-,37-/m0/s1
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1.80n/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
Progesterone 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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2.10n/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))
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50197425
PNG
(CHEMBL440227 | [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(CC(O)=O)cc1
Show InChI InChI=1S/C37H41NO4/c1-4-18-37(42)19-17-33-31-15-11-27-21-29(39)14-16-30(27)35(31)32(22-36(33,37)2)26-9-12-28(13-10-26)38(3)23-25-7-5-24(6-8-25)20-34(40)41/h5-10,12-13,21,31-33,42H,11,14-17,19-20,22-23H2,1-3H3,(H,40,41)/t31-,32+,33-,36-,37-/m0/s1
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4.40n/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
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
Progesterone 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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6.40n/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
Androgen 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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8.90n/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
Estrogen receptor


(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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12n/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))
BDBM50197427
PNG
(4-({[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-methyl-...)
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)=O
Show InChI InChI=1S/C36H39NO4/c1-4-18-36(41)19-17-32-30-15-11-26-20-28(38)14-16-29(26)33(30)31(21-35(32,36)2)24-9-12-27(13-10-24)37(3)22-23-5-7-25(8-6-23)34(39)40/h5-10,12-13,20,30-32,41H,11,14-17,19,21-22H2,1-3H3,(H,39,40)/t30-,31+,32-,35-,36-/m0/s1
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12n/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
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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15n/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
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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15n/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50197425
PNG
(CHEMBL440227 | [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(CC(O)=O)cc1
Show InChI InChI=1S/C37H41NO4/c1-4-18-37(42)19-17-33-31-15-11-27-21-29(39)14-16-30(27)35(31)32(22-36(33,37)2)26-9-12-28(13-10-26)38(3)23-25-7-5-24(6-8-25)20-34(40)41/h5-10,12-13,21,31-33,42H,11,14-17,19-20,22-23H2,1-3H3,(H,40,41)/t31-,32+,33-,36-,37-/m0/s1
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32n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GR transcriptional activation by HepTAT 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
Estrogen 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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34n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Estrogen receptor alpha


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
Estrogen 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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46n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Estrogen receptor alpha


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
Estradiol receptor beta (ERβ)


(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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48n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Estrogen receptor beta


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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52n/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))
BDBM50197427
PNG
(4-({[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-methyl-...)
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)=O
Show InChI InChI=1S/C36H39NO4/c1-4-18-36(41)19-17-32-30-15-11-26-20-28(38)14-16-29(26)33(30)31(21-35(32,36)2)24-9-12-27(13-10-24)37(3)22-23-5-7-25(8-6-23)34(39)40/h5-10,12-13,20,30-32,41H,11,14-17,19,21-22H2,1-3H3,(H,39,40)/t30-,31+,32-,35-,36-/m0/s1
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52n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GR transcriptional activation by HepTAT 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
Androgen 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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53n/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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
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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110n/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))
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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127n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GR transcriptional activation by HepTAT 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
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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200n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GR transcriptional activation by HepTAT 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
Estrogen receptor


(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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200n/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))
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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340n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid receptor mediated tyrosine amino transferase 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
mineralocorticoid


(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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440n/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
Estradiol receptor beta (ERβ)


(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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570n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Estrogen receptor beta


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
mineralocorticoid


(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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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
thyroid alpha


(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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670n/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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
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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750n/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
Thyroid hormone 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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790n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Thyroid hormone receptor alpha


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
Mineralocorticoid 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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>1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Mineralocorticoid 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
Mineralocorticoid 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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>1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Mineralocorticoid 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
thyroid alpha


(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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1.25E+3n/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
thyroid beta


(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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1.50E+3n/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
Thyroid Hormone Receptor (TR-beta)


(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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>2.25E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Thyroid hormone receptor beta


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
thyroid beta


(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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>1.00E+4n/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))
BDBM50292754
PNG
(17beta-Hydroxy-11beta-[4-(N-methylhexylamino)-phen...)
Show SMILES CCCCCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C34H45NO2/c1-5-7-8-9-21-35(4)26-13-10-24(11-14-26)30-23-33(3)31(18-20-34(33,37)19-6-2)29-16-12-25-22-27(36)15-17-28(25)32(29)30/h10-11,13-14,22,29-31,37H,5,7-9,12,15-18,20-21,23H2,1-4H3/t29-,30+,31-,33-,34-/m0/s1
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n/an/a 0.660n/an/an/an/an/an/a



University of Graz

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity after 4...


J Med Chem 52: 1268-74 (2010)


Article DOI: 10.1021/jm800985z
BindingDB Entry DOI: 10.7270/Q27S7PPM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50292753
PNG
(17beta-Hydroxy-11beta-[4-(N-methylpropylamino)-phe...)
Show SMILES CCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C31H39NO2/c1-5-16-31(34)17-15-28-26-13-9-22-19-24(33)12-14-25(22)29(26)27(20-30(28,31)3)21-7-10-23(11-8-21)32(4)18-6-2/h7-8,10-11,19,26-28,34H,6,9,12-15,17-18,20H2,1-4H3/t26-,27+,28-,30-,31-/m0/s1
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n/an/a 0.270n/an/an/an/an/an/a



University of Graz

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity after 4...


J Med Chem 52: 1268-74 (2010)


Article DOI: 10.1021/jm800985z
BindingDB Entry DOI: 10.7270/Q27S7PPM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50292750
PNG
(17beta-Hydroxy-11beta-[4-(methylamino)-phenyl]-17a...)
Show SMILES CNc1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C28H33NO2/c1-4-14-28(31)15-13-25-23-11-7-19-16-21(30)10-12-22(19)26(23)24(17-27(25,28)2)18-5-8-20(29-3)9-6-18/h5-6,8-9,16,23-25,29,31H,7,10-13,15,17H2,1-3H3/t23-,24+,25-,27-,28-/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



University of Graz

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity after 4...


J Med Chem 52: 1268-74 (2010)


Article DOI: 10.1021/jm800985z
BindingDB Entry DOI: 10.7270/Q27S7PPM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50292755
PNG
(17beta-Hydroxy-11beta-[4-(N-methynonylamino)-pheny...)
Show SMILES CCCCCCCCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C37H51NO2/c1-5-7-8-9-10-11-12-24-38(4)29-16-13-27(14-17-29)33-26-36(3)34(21-23-37(36,40)22-6-2)32-19-15-28-25-30(39)18-20-31(28)35(32)33/h13-14,16-17,25,32-34,40H,5,7-12,15,18-21,23-24,26H2,1-4H3/t32-,33+,34-,36-,37-/m0/s1
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n/an/a 0.380n/an/an/an/an/an/a



University of Graz

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D-C124 cells transfected with luciferase gene linked to MMTV promoter assessed as inhibition...


J Med Chem 52: 1268-74 (2010)


Article DOI: 10.1021/jm800985z
BindingDB Entry DOI: 10.7270/Q27S7PPM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50292754
PNG
(17beta-Hydroxy-11beta-[4-(N-methylhexylamino)-phen...)
Show SMILES CCCCCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C34H45NO2/c1-5-7-8-9-21-35(4)26-13-10-24(11-14-26)30-23-33(3)31(18-20-34(33,37)19-6-2)29-16-12-25-22-27(36)15-17-28(25)32(29)30/h10-11,13-14,22,29-31,37H,5,7-9,12,15-18,20-21,23H2,1-4H3/t29-,30+,31-,33-,34-/m0/s1
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n/an/a 0.180n/an/an/an/an/an/a



University of Graz

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D-C124 cells transfected with luciferase gene linked to MMTV promoter assessed as inhibition...


J Med Chem 52: 1268-74 (2010)


Article DOI: 10.1021/jm800985z
BindingDB Entry DOI: 10.7270/Q27S7PPM
More data for this
Ligand-Target Pair
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