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PubMed code 12036351

Compile data set for download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113782
PNG
((10R,13S,17S)-17-hydroxy-13-methyl-10-(4-methylben...)
Show SMILES CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@]12C
Show InChI InChI=1S/C29H34O2/c1-4-14-29(31)17-13-25-24-10-9-22-18-23(30)11-16-28(22,26(24)12-15-27(25,29)3)19-21-7-5-20(2)6-8-21/h5-8,12,18,24-25,31H,9-11,13,15-17,19H2,1-3H3/t24?,25?,27-,28+,29-/m0/s1
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0.100n/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113783
PNG
((2R,4aS,10aR)-4a-benzyl-2-(chloroethynyl)-1,2,3,4,...)
Show SMILES Oc1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C#CCl)c1
Show InChI InChI=1S/C23H23ClO2/c24-13-12-22(26)10-11-23(15-17-4-2-1-3-5-17)19(16-22)7-6-18-14-20(25)8-9-21(18)23/h1-5,8-9,14,19,25-26H,6-7,10-11,15-16H2/t19-,22+,23+/m1/s1
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0.100n/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113780
PNG
((2R,4aS,10aR)-4a-benzyl-2-(prop-1-ynyl)-1,2,3,4,4a...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C24H26O2/c1-2-12-23(26)13-14-24(16-18-6-4-3-5-7-18)20(17-23)9-8-19-15-21(25)10-11-22(19)24/h3-7,10-11,15,20,25-26H,8-9,13-14,16-17H2,1H3/t20-,23-,24+/m1/s1
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0.170n/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
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)
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))
BDBM50113777
PNG
((4aS,10aR)-4a-benzyl-7-hydroxy-3,4,4a,9,10,10a-hex...)
Show SMILES Oc1ccc2c(CC[C@@H]3CC(=O)CC[C@@]23Cc2ccccc2)c1
Show InChI InChI=1S/C21H22O2/c22-18-8-9-20-16(12-18)6-7-17-13-19(23)10-11-21(17,20)14-15-4-2-1-3-5-15/h1-5,8-9,12,17,22H,6-7,10-11,13-14H2/t17-,21+/m1/s1
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6n/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
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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15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of radioligand from human Progesterone 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)
Androgen Receptor


(Homo sapiens (human))
BDBM50113778
PNG
((S)-4a-Benzyl-7-methoxy-4,4a,9,10-tetrahydro-3H-ph...)
Show SMILES COc1ccc2c(CCC3=CC(=O)CC[C@]23Cc2ccccc2)c1
Show InChI InChI=1S/C22H22O2/c1-24-20-9-10-21-17(13-20)7-8-18-14-19(23)11-12-22(18,21)15-16-5-3-2-4-6-16/h2-6,9-10,13-14H,7-8,11-12,15H2,1H3/t22-/m1/s1
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54n/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
Androgen Receptor


(Homo sapiens (human))
BDBM50113782
PNG
((10R,13S,17S)-17-hydroxy-13-methyl-10-(4-methylben...)
Show SMILES CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@]12C
Show InChI InChI=1S/C29H34O2/c1-4-14-29(31)17-13-25-24-10-9-22-18-23(30)11-16-28(22,26(24)12-15-27(25,29)3)19-21-7-5-20(2)6-8-21/h5-8,12,18,24-25,31H,9-11,13,15-17,19H2,1-3H3/t24?,25?,27-,28+,29-/m0/s1
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90n/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
Androgen Receptor


(Homo sapiens (human))
BDBM50113783
PNG
((2R,4aS,10aR)-4a-benzyl-2-(chloroethynyl)-1,2,3,4,...)
Show SMILES Oc1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C#CCl)c1
Show InChI InChI=1S/C23H23ClO2/c24-13-12-22(26)10-11-23(15-17-4-2-1-3-5-17)19(16-22)7-6-18-14-20(25)8-9-21(18)23/h1-5,8-9,14,19,25-26H,6-7,10-11,15-16H2/t19-,22+,23+/m1/s1
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130n/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))
BDBM50113781
PNG
((R)-4a-Benzyl-7-hydroxy-4,4a,9,10-tetrahydro-3H-ph...)
Show SMILES Oc1ccc2c(CCC3=CC(=O)CC[C@@]23Cc2ccccc2)c1
Show InChI InChI=1S/C21H20O2/c22-18-8-9-20-16(12-18)6-7-17-13-19(23)10-11-21(17,20)14-15-4-2-1-3-5-15/h1-5,8-9,12-13,22H,6-7,10-11,14H2/t21-/m0/s1
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157n/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
Androgen Receptor


(Homo sapiens (human))
BDBM50113781
PNG
((R)-4a-Benzyl-7-hydroxy-4,4a,9,10-tetrahydro-3H-ph...)
Show SMILES Oc1ccc2c(CCC3=CC(=O)CC[C@@]23Cc2ccccc2)c1
Show InChI InChI=1S/C21H20O2/c22-18-8-9-20-16(12-18)6-7-17-13-19(23)10-11-21(17,20)14-15-4-2-1-3-5-15/h1-5,8-9,12-13,22H,6-7,10-11,14H2/t21-/m0/s1
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180n/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
Androgen Receptor


(Homo sapiens (human))
BDBM50113780
PNG
((2R,4aS,10aR)-4a-benzyl-2-(prop-1-ynyl)-1,2,3,4,4a...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C24H26O2/c1-2-12-23(26)13-14-24(16-18-6-4-3-5-7-18)20(17-23)9-8-19-15-21(25)10-11-22(19)24/h3-7,10-11,15,20,25-26H,8-9,13-14,16-17H2,1H3/t20-,23-,24+/m1/s1
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650n/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
Androgen Receptor


(Homo sapiens (human))
BDBM50113776
PNG
((R)-4a-Benzyl-7-methoxy-4,4a,9,10-tetrahydro-3H-ph...)
Show SMILES COc1ccc2c(CCC3=CC(=O)CC[C@@]23Cc2ccccc2)c1
Show InChI InChI=1S/C22H22O2/c1-24-20-9-10-21-17(13-20)7-8-18-14-19(23)11-12-22(18,21)15-16-5-3-2-4-6-16/h2-6,9-10,13-14H,7-8,11-12,15H2,1H3/t22-/m0/s1
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690n/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
Androgen Receptor


(Homo sapiens (human))
BDBM50113777
PNG
((4aS,10aR)-4a-benzyl-7-hydroxy-3,4,4a,9,10,10a-hex...)
Show SMILES Oc1ccc2c(CC[C@@H]3CC(=O)CC[C@@]23Cc2ccccc2)c1
Show InChI InChI=1S/C21H22O2/c22-18-8-9-20-16(12-18)6-7-17-13-19(23)10-11-21(17,20)14-15-4-2-1-3-5-15/h1-5,8-9,12,17,22H,6-7,10-11,13-14H2/t17-,21+/m1/s1
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1.30E+3n/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))
BDBM50113776
PNG
((R)-4a-Benzyl-7-methoxy-4,4a,9,10-tetrahydro-3H-ph...)
Show SMILES COc1ccc2c(CCC3=CC(=O)CC[C@@]23Cc2ccccc2)c1
Show InChI InChI=1S/C22H22O2/c1-24-20-9-10-21-17(13-20)7-8-18-14-19(23)11-12-22(18,21)15-16-5-3-2-4-6-16/h2-6,9-10,13-14H,7-8,11-12,15H2,1H3/t22-/m0/s1
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>1.00E+4n/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113778
PNG
((S)-4a-Benzyl-7-methoxy-4,4a,9,10-tetrahydro-3H-ph...)
Show SMILES COc1ccc2c(CCC3=CC(=O)CC[C@]23Cc2ccccc2)c1
Show InChI InChI=1S/C22H22O2/c1-24-20-9-10-21-17(13-20)7-8-18-14-19(23)11-12-22(18,21)15-16-5-3-2-4-6-16/h2-6,9-10,13-14H,7-8,11-12,15H2,1H3/t22-/m1/s1
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>1.00E+4n/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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50113778
PNG
((S)-4a-Benzyl-7-methoxy-4,4a,9,10-tetrahydro-3H-ph...)
Show SMILES COc1ccc2c(CCC3=CC(=O)CC[C@]23Cc2ccccc2)c1
Show InChI InChI=1S/C22H22O2/c1-24-20-9-10-21-17(13-20)7-8-18-14-19(23)11-12-22(18,21)15-16-5-3-2-4-6-16/h2-6,9-10,13-14H,7-8,11-12,15H2,1H3/t22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of radioligand from human ER beta


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
Estrogen receptor


(Homo sapiens (Human))
BDBM50113782
PNG
((10R,13S,17S)-17-hydroxy-13-methyl-10-(4-methylben...)
Show SMILES CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@]12C
Show InChI InChI=1S/C29H34O2/c1-4-14-29(31)17-13-25-24-10-9-22-18-23(30)11-16-28(22,26(24)12-15-27(25,29)3)19-21-7-5-20(2)6-8-21/h5-8,12,18,24-25,31H,9-11,13,15-17,19H2,1-3H3/t24?,25?,27-,28+,29-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of radioligand from human Estrogen receptor alpha


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
Progesterone receptor


(Homo sapiens (Human))
BDBM50113779
PNG
((S)-4a-Benzyl-7-hydroxy-4,4a,9,10-tetrahydro-3H-ph...)
Show SMILES Oc1ccc2c(CCC3=CC(=O)CC[C@]23Cc2ccccc2)c1
Show InChI InChI=1S/C21H20O2/c22-18-8-9-20-16(12-18)6-7-17-13-19(23)10-11-21(17,20)14-15-4-2-1-3-5-15/h1-5,8-9,12-13,22H,6-7,10-11,14H2/t21-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of radioligand from human Progesterone 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
Progesterone receptor


(Homo sapiens (Human))
BDBM50113776
PNG
((R)-4a-Benzyl-7-methoxy-4,4a,9,10-tetrahydro-3H-ph...)
Show SMILES COc1ccc2c(CCC3=CC(=O)CC[C@@]23Cc2ccccc2)c1
Show InChI InChI=1S/C22H22O2/c1-24-20-9-10-21-17(13-20)7-8-18-14-19(23)11-12-22(18,21)15-16-5-3-2-4-6-16/h2-6,9-10,13-14H,7-8,11-12,15H2,1H3/t22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of radioligand from human Progesterone 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
Androgen Receptor


(Homo sapiens (human))
BDBM50113779
PNG
((S)-4a-Benzyl-7-hydroxy-4,4a,9,10-tetrahydro-3H-ph...)
Show SMILES Oc1ccc2c(CCC3=CC(=O)CC[C@]23Cc2ccccc2)c1
Show InChI InChI=1S/C21H20O2/c22-18-8-9-20-16(12-18)6-7-17-13-19(23)10-11-21(17,20)14-15-4-2-1-3-5-15/h1-5,8-9,12-13,22H,6-7,10-11,14H2/t21-/m1/s1
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>1.00E+4n/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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50113782
PNG
((10R,13S,17S)-17-hydroxy-13-methyl-10-(4-methylben...)
Show SMILES CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@]12C
Show InChI InChI=1S/C29H34O2/c1-4-14-29(31)17-13-25-24-10-9-22-18-23(30)11-16-28(22,26(24)12-15-27(25,29)3)19-21-7-5-20(2)6-8-21/h5-8,12,18,24-25,31H,9-11,13,15-17,19H2,1-3H3/t24?,25?,27-,28+,29-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of radioligand from human ER beta


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
Estrogen receptor


(Homo sapiens (Human))
BDBM50113778
PNG
((S)-4a-Benzyl-7-methoxy-4,4a,9,10-tetrahydro-3H-ph...)
Show SMILES COc1ccc2c(CCC3=CC(=O)CC[C@]23Cc2ccccc2)c1
Show InChI InChI=1S/C22H22O2/c1-24-20-9-10-21-17(13-20)7-8-18-14-19(23)11-12-22(18,21)15-16-5-3-2-4-6-16/h2-6,9-10,13-14H,7-8,11-12,15H2,1H3/t22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of radioligand from human Estrogen receptor alpha


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))
BDBM50113779
PNG
((S)-4a-Benzyl-7-hydroxy-4,4a,9,10-tetrahydro-3H-ph...)
Show SMILES Oc1ccc2c(CCC3=CC(=O)CC[C@]23Cc2ccccc2)c1
Show InChI InChI=1S/C21H20O2/c22-18-8-9-20-16(12-18)6-7-17-13-19(23)10-11-21(17,20)14-15-4-2-1-3-5-15/h1-5,8-9,12-13,22H,6-7,10-11,14H2/t21-/m1/s1
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>1.00E+4n/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50113780
PNG
((2R,4aS,10aR)-4a-benzyl-2-(prop-1-ynyl)-1,2,3,4,4a...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C24H26O2/c1-2-12-23(26)13-14-24(16-18-6-4-3-5-7-18)20(17-23)9-8-19-15-21(25)10-11-22(19)24/h3-7,10-11,15,20,25-26H,8-9,13-14,16-17H2,1H3/t20-,23-,24+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of radioligand from human Progesterone 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
Progesterone receptor


(Homo sapiens (Human))
BDBM50113778
PNG
((S)-4a-Benzyl-7-methoxy-4,4a,9,10-tetrahydro-3H-ph...)
Show SMILES COc1ccc2c(CCC3=CC(=O)CC[C@]23Cc2ccccc2)c1
Show InChI InChI=1S/C22H22O2/c1-24-20-9-10-21-17(13-20)7-8-18-14-19(23)11-12-22(18,21)15-16-5-3-2-4-6-16/h2-6,9-10,13-14H,7-8,11-12,15H2,1H3/t22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of radioligand from human Progesterone 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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50113776
PNG
((R)-4a-Benzyl-7-methoxy-4,4a,9,10-tetrahydro-3H-ph...)
Show SMILES COc1ccc2c(CCC3=CC(=O)CC[C@@]23Cc2ccccc2)c1
Show InChI InChI=1S/C22H22O2/c1-24-20-9-10-21-17(13-20)7-8-18-14-19(23)11-12-22(18,21)15-16-5-3-2-4-6-16/h2-6,9-10,13-14H,7-8,11-12,15H2,1H3/t22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of radioligand from human ER beta


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
Progesterone receptor


(Homo sapiens (Human))
BDBM50113777
PNG
((4aS,10aR)-4a-benzyl-7-hydroxy-3,4,4a,9,10,10a-hex...)
Show SMILES Oc1ccc2c(CC[C@@H]3CC(=O)CC[C@@]23Cc2ccccc2)c1
Show InChI InChI=1S/C21H22O2/c22-18-8-9-20-16(12-18)6-7-17-13-19(23)10-11-21(17,20)14-15-4-2-1-3-5-15/h1-5,8-9,12,17,22H,6-7,10-11,13-14H2/t17-,21+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of radioligand from human Progesterone 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
Progesterone receptor


(Homo sapiens (Human))
BDBM50113781
PNG
((R)-4a-Benzyl-7-hydroxy-4,4a,9,10-tetrahydro-3H-ph...)
Show SMILES Oc1ccc2c(CCC3=CC(=O)CC[C@@]23Cc2ccccc2)c1
Show InChI InChI=1S/C21H20O2/c22-18-8-9-20-16(12-18)6-7-17-13-19(23)10-11-21(17,20)14-15-4-2-1-3-5-15/h1-5,8-9,12-13,22H,6-7,10-11,14H2/t21-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of radioligand from human Progesterone 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
Progesterone receptor


(Homo sapiens (Human))
BDBM50113783
PNG
((2R,4aS,10aR)-4a-benzyl-2-(chloroethynyl)-1,2,3,4,...)
Show SMILES Oc1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C#CCl)c1
Show InChI InChI=1S/C23H23ClO2/c24-13-12-22(26)10-11-23(15-17-4-2-1-3-5-17)19(16-22)7-6-18-14-20(25)8-9-21(18)23/h1-5,8-9,14,19,25-26H,6-7,10-11,15-16H2/t19-,22+,23+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of radioligand from human Progesterone 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
* indicates data uncertainty>20%