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PubMed code 17703938

Compile data set for download or QSAR
Found 55 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
Androgen Receptor


(Homo sapiens (human))
BDBM50219551
PNG
((R)-4-(cyclopropylmethyl)-3-phenyl-10-(trifluorome...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2ccc3N(CC4CC4)[C@@H](COc3c12)c1ccccc1
Show InChI InChI=1S/C22H19F3N2O2/c23-22(24,25)15-10-19(28)26-16-8-9-17-21(20(15)16)29-12-18(14-4-2-1-3-5-14)27(17)11-13-6-7-13/h1-5,8-10,13,18H,6-7,11-12H2,(H,26,28)/t18-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219544
PNG
((R)-3-phenyl-4-(2,2,2-trifluoroethyl)-10-(trifluor...)
Show SMILES FC(F)(F)CN1[C@@H](COc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C20H14F6N2O2/c21-19(22,23)10-28-14-7-6-13-17(12(20(24,25)26)8-16(29)27-13)18(14)30-9-15(28)11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,27,29)/t15-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219559
PNG
((R)-3-methyl-10-(trifluoromethyl)-3,4-dihydro-2H-[...)
Show SMILES C[C@@H]1COc2c(N1)ccc1[nH]c(=O)cc(c21)C(F)(F)F
Show InChI InChI=1S/C13H11F3N2O2/c1-6-5-20-12-9(17-6)3-2-8-11(12)7(13(14,15)16)4-10(19)18-8/h2-4,6,17H,5H2,1H3,(H,18,19)/t6-/m1/s1
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n/an/a 72n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219533
PNG
((R)-3-ethyl-10-(trifluoromethyl)-3,4-dihydro-2H-[1...)
Show SMILES CC[C@@H]1COc2c(N1)ccc1[nH]c(=O)cc(c21)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O2/c1-2-7-6-21-13-10(18-7)4-3-9-12(13)8(14(15,16)17)5-11(20)19-9/h3-5,7,18H,2,6H2,1H3,(H,19,20)/t7-/m1/s1
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n/an/a 84n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219556
PNG
((R)-3-propyl-10-(trifluoromethyl)-3,4-dihydro-2H-[...)
Show SMILES CCC[C@@H]1COc2c(N1)ccc1[nH]c(=O)cc(c21)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2O2/c1-2-3-8-7-22-14-11(19-8)5-4-10-13(14)9(15(16,17)18)6-12(21)20-10/h4-6,8,19H,2-3,7H2,1H3,(H,20,21)/t8-/m1/s1
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n/an/a 113n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50219539
PNG
((R)-3-ethyl-4-(2,2,2-trifluoroethyl)-10-(trifluoro...)
Show SMILES CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(F)(F)F
Show InChI InChI=1S/C16H14F6N2O2/c1-2-8-6-26-14-11(24(8)7-15(17,18)19)4-3-10-13(14)9(16(20,21)22)5-12(25)23-10/h3-5,8H,2,6-7H2,1H3,(H,23,25)/t8-/m1/s1
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n/an/a 520n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor by transactivation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219554
PNG
((R)-3-phenyl-10-(trifluoromethyl)-3,4-dihydro-2H-[...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2ccc3N[C@@H](COc3c12)c1ccccc1
Show InChI InChI=1S/C18H13F3N2O2/c19-18(20,21)11-8-15(24)23-12-6-7-13-17(16(11)12)25-9-14(22-13)10-4-2-1-3-5-10/h1-8,14,22H,9H2,(H,23,24)/t14-/m0/s1
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n/an/a 1.48E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219550
PNG
(10-(trifluoromethyl)-3,4-dihydro-2H-[1,4]oxazino[2...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2ccc3NCCOc3c12
Show InChI InChI=1S/C12H9F3N2O2/c13-12(14,15)6-5-9(18)17-7-1-2-8-11(10(6)7)19-4-3-16-8/h1-2,5,16H,3-4H2,(H,17,18)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219539
PNG
((R)-3-ethyl-4-(2,2,2-trifluoroethyl)-10-(trifluoro...)
Show SMILES CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(F)(F)F
Show InChI InChI=1S/C16H14F6N2O2/c1-2-8-6-26-14-11(24(8)7-15(17,18)19)4-3-10-13(14)9(16(20,21)22)5-12(25)23-10/h3-5,8H,2,6-7H2,1H3,(H,23,25)/t8-/m1/s1
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n/an/a 1.51E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor by transactivation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219543
PNG
((R)-3-methyl-4-(2,2,2-trifluoroethyl)-10-(trifluor...)
Show SMILES C[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(F)(F)F
Show InChI InChI=1S/C15H12F6N2O2/c1-7-5-25-13-10(23(7)6-14(16,17)18)3-2-9-12(13)8(15(19,20)21)4-11(24)22-9/h2-4,7H,5-6H2,1H3,(H,22,24)/t7-/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor by transactivation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219542
PNG
((R)-3,4-diethyl-10-(trifluoromethyl)-3,4-dihydro-2...)
Show SMILES CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC
Show InChI InChI=1S/C16H17F3N2O2/c1-3-9-8-23-15-12(21(9)4-2)6-5-11-14(15)10(16(17,18)19)7-13(22)20-11/h5-7,9H,3-4,8H2,1-2H3,(H,20,22)/t9-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219535
PNG
((R)-4-ethyl-3-isopropyl-10-(trifluoromethyl)-3,4-d...)
Show SMILES CCN1[C@@H](COc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F)C(C)C
Show InChI InChI=1S/C17H19F3N2O2/c1-4-22-12-6-5-11-15(16(12)24-8-13(22)9(2)3)10(17(18,19)20)7-14(23)21-11/h5-7,9,13H,4,8H2,1-3H3,(H,21,23)/t13-/m0/s1
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219541
PNG
((R)-3-ethyl-4-propyl-10-(trifluoromethyl)-3,4-dihy...)
Show SMILES CCCN1[C@H](CC)COc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O2/c1-3-7-22-10(4-2)9-24-16-13(22)6-5-12-15(16)11(17(18,19)20)8-14(23)21-12/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,21,23)/t10-/m1/s1
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219536
PNG
((R)-4-allyl-3-ethyl-10-(trifluoromethyl)-3,4-dihyd...)
Show SMILES CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC=C
Show InChI InChI=1S/C17H17F3N2O2/c1-3-7-22-10(4-2)9-24-16-13(22)6-5-12-15(16)11(17(18,19)20)8-14(23)21-12/h3,5-6,8,10H,1,4,7,9H2,2H3,(H,21,23)/t10-/m1/s1
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219552
PNG
(4-(cyclopropylmethyl)-3-phenyl-10-(trifluoromethyl...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2ccc3N(CC4CC4)C(COc3c12)c1ccccc1
Show InChI InChI=1S/C22H19F3N2O2/c23-22(24,25)15-10-19(28)26-16-8-9-17-21(20(15)16)29-12-18(14-4-2-1-3-5-14)27(17)11-13-6-7-13/h1-5,8-10,13,18H,6-7,11-12H2,(H,26,28)
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219539
PNG
((R)-3-ethyl-4-(2,2,2-trifluoroethyl)-10-(trifluoro...)
Show SMILES CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(F)(F)F
Show InChI InChI=1S/C16H14F6N2O2/c1-2-8-6-26-14-11(24(8)7-15(17,18)19)4-3-10-13(14)9(16(20,21)22)5-12(25)23-10/h3-5,8H,2,6-7H2,1H3,(H,23,25)/t8-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219537
PNG
((R)-3-benzyl-4-(2,2,2-trifluoroethyl)-10-(trifluor...)
Show SMILES FC(F)(F)CN1[C@H](Cc2ccccc2)COc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F
Show InChI InChI=1S/C21H16F6N2O2/c22-20(23,24)11-29-13(8-12-4-2-1-3-5-12)10-31-19-16(29)7-6-15-18(19)14(21(25,26)27)9-17(30)28-15/h1-7,9,13H,8,10-11H2,(H,28,30)/t13-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219538
PNG
((R)-3-ethyl-4-isobutyl-10-(trifluoromethyl)-3,4-di...)
Show SMILES CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(C)C
Show InChI InChI=1S/C18H21F3N2O2/c1-4-11-9-25-17-14(23(11)8-10(2)3)6-5-13-16(17)12(18(19,20)21)7-15(24)22-13/h5-7,10-11H,4,8-9H2,1-3H3,(H,22,24)/t11-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM50219545
PNG
((S)-4-(cyclopropylmethyl)-3-phenyl-10-(trifluorome...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2ccc3N(CC4CC4)[C@H](COc3c12)c1ccccc1
Show InChI InChI=1S/C22H19F3N2O2/c23-22(24,25)15-10-19(28)26-16-8-9-17-21(20(15)16)29-12-18(14-4-2-1-3-5-14)27(17)11-13-6-7-13/h1-5,8-10,13,18H,6-7,11-12H2,(H,26,28)/t18-/m1/s1
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18216
PNG
((2R)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluor...)
Show SMILES C[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H12F6N2O2/c1-7-5-25-12-4-10-8(2-11(12)23(7)6-14(16,17)18)9(15(19,20)21)3-13(24)22-10/h2-4,7H,5-6H2,1H3,(H,22,24)/t7-/m1/s1
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219548
PNG
((R)-3-ethyl-4-(2-hydroxy-2-methylpropyl)-10-(trifl...)
Show SMILES CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(C)(C)O
Show InChI InChI=1S/C18H21F3N2O3/c1-4-10-8-26-16-13(23(10)9-17(2,3)25)6-5-12-15(16)11(18(19,20)21)7-14(24)22-12/h5-7,10,25H,4,8-9H2,1-3H3,(H,22,24)/t10-/m1/s1
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219558
PNG
((R)-4-allyl-3-isopropyl-10-(trifluoromethyl)-3,4-d...)
Show SMILES CC(C)[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC=C
Show InChI InChI=1S/C18H19F3N2O2/c1-4-7-23-13-6-5-12-16(17(13)25-9-14(23)10(2)3)11(18(19,20)21)8-15(24)22-12/h4-6,8,10,14H,1,7,9H2,2-3H3,(H,22,24)/t14-/m0/s1
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219543
PNG
((R)-3-methyl-4-(2,2,2-trifluoroethyl)-10-(trifluor...)
Show SMILES C[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(F)(F)F
Show InChI InChI=1S/C15H12F6N2O2/c1-7-5-25-13-10(23(7)6-14(16,17)18)3-2-9-12(13)8(15(19,20)21)4-11(24)22-9/h2-4,7H,5-6H2,1H3,(H,22,24)/t7-/m1/s1
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219557
PNG
((R)-3-isopropyl-4-(2,2,2-trifluoroethyl)-10-(trifl...)
Show SMILES CC(C)[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(F)(F)F
Show InChI InChI=1S/C17H16F6N2O2/c1-8(2)12-6-27-15-11(25(12)7-16(18,19)20)4-3-10-14(15)9(17(21,22)23)5-13(26)24-10/h3-5,8,12H,6-7H2,1-2H3,(H,24,26)/t12-/m0/s1
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219544
PNG
((R)-3-phenyl-4-(2,2,2-trifluoroethyl)-10-(trifluor...)
Show SMILES FC(F)(F)CN1[C@@H](COc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C20H14F6N2O2/c21-19(22,23)10-28-14-7-6-13-17(12(20(24,25)26)8-16(29)27-13)18(14)30-9-15(28)11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,27,29)/t15-/m0/s1
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219550
PNG
(10-(trifluoromethyl)-3,4-dihydro-2H-[1,4]oxazino[2...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2ccc3NCCOc3c12
Show InChI InChI=1S/C12H9F3N2O2/c13-12(14,15)6-5-9(18)17-7-1-2-8-11(10(6)7)19-4-3-16-8/h1-2,5,16H,3-4H2,(H,17,18)
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219555
PNG
((R)-3-isopropyl-4-methyl-10-(trifluoromethyl)-3,4-...)
Show SMILES CC(C)[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1C
Show InChI InChI=1S/C16H17F3N2O2/c1-8(2)12-7-23-15-11(21(12)3)5-4-10-14(15)9(16(17,18)19)6-13(22)20-10/h4-6,8,12H,7H2,1-3H3,(H,20,22)/t12-/m0/s1
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n/an/an/an/a 276n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219556
PNG
((R)-3-propyl-10-(trifluoromethyl)-3,4-dihydro-2H-[...)
Show SMILES CCC[C@@H]1COc2c(N1)ccc1[nH]c(=O)cc(c21)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2O2/c1-2-3-8-7-22-14-11(19-8)5-4-10-13(14)9(15(16,17)18)6-12(21)20-10/h4-6,8,19H,2-3,7H2,1H3,(H,20,21)/t8-/m1/s1
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219551
PNG
((R)-4-(cyclopropylmethyl)-3-phenyl-10-(trifluorome...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2ccc3N(CC4CC4)[C@@H](COc3c12)c1ccccc1
Show InChI InChI=1S/C22H19F3N2O2/c23-22(24,25)15-10-19(28)26-16-8-9-17-21(20(15)16)29-12-18(14-4-2-1-3-5-14)27(17)11-13-6-7-13/h1-5,8-10,13,18H,6-7,11-12H2,(H,26,28)/t18-/m0/s1
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219535
PNG
((R)-4-ethyl-3-isopropyl-10-(trifluoromethyl)-3,4-d...)
Show SMILES CCN1[C@@H](COc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F)C(C)C
Show InChI InChI=1S/C17H19F3N2O2/c1-4-22-12-6-5-11-15(16(12)24-8-13(22)9(2)3)10(17(18,19)20)7-14(23)21-11/h5-7,9,13H,4,8H2,1-3H3,(H,21,23)/t13-/m0/s1
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n/an/an/an/a 272n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219545
PNG
((S)-4-(cyclopropylmethyl)-3-phenyl-10-(trifluorome...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2ccc3N(CC4CC4)[C@H](COc3c12)c1ccccc1
Show InChI InChI=1S/C22H19F3N2O2/c23-22(24,25)15-10-19(28)26-16-8-9-17-21(20(15)16)29-12-18(14-4-2-1-3-5-14)27(17)11-13-6-7-13/h1-5,8-10,13,18H,6-7,11-12H2,(H,26,28)/t18-/m1/s1
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n/an/an/an/a 18n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219540
PNG
((R)-3,4-dimethyl-10-(trifluoromethyl)-3,4-dihydro-...)
Show SMILES C[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1C
Show InChI InChI=1S/C14H13F3N2O2/c1-7-6-21-13-10(19(7)2)4-3-9-12(13)8(14(15,16)17)5-11(20)18-9/h3-5,7H,6H2,1-2H3,(H,18,20)/t7-/m1/s1
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18216
PNG
((2R)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluor...)
Show SMILES C[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H12F6N2O2/c1-7-5-25-12-4-10-8(2-11(12)23(7)6-14(16,17)18)9(15(19,20)21)3-13(24)22-10/h2-4,7H,5-6H2,1H3,(H,22,24)/t7-/m1/s1
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n/an/an/an/a 1.10n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219548
PNG
((R)-3-ethyl-4-(2-hydroxy-2-methylpropyl)-10-(trifl...)
Show SMILES CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(C)(C)O
Show InChI InChI=1S/C18H21F3N2O3/c1-4-10-8-26-16-13(23(10)9-17(2,3)25)6-5-12-15(16)11(18(19,20)21)7-14(24)22-12/h5-7,10,25H,4,8-9H2,1-3H3,(H,22,24)/t10-/m1/s1
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n/an/an/an/a 300n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219543
PNG
((R)-3-methyl-4-(2,2,2-trifluoroethyl)-10-(trifluor...)
Show SMILES C[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(F)(F)F
Show InChI InChI=1S/C15H12F6N2O2/c1-7-5-25-13-10(23(7)6-14(16,17)18)3-2-9-12(13)8(15(19,20)21)4-11(24)22-9/h2-4,7H,5-6H2,1H3,(H,22,24)/t7-/m1/s1
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n/an/an/an/a 5.40n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219549
PNG
(4-(2,2,2-trifluoroethyl)-10-(trifluoromethyl)-3,4-...)
Show SMILES FC(F)(F)CN1CCOc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F
Show InChI InChI=1S/C14H10F6N2O2/c15-13(16,17)6-22-3-4-24-12-9(22)2-1-8-11(12)7(14(18,19)20)5-10(23)21-8/h1-2,5H,3-4,6H2,(H,21,23)
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n/an/an/an/a 190n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219557
PNG
((R)-3-isopropyl-4-(2,2,2-trifluoroethyl)-10-(trifl...)
Show SMILES CC(C)[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(F)(F)F
Show InChI InChI=1S/C17H16F6N2O2/c1-8(2)12-6-27-15-11(25(12)7-16(18,19)20)4-3-10-14(15)9(17(21,22)23)5-13(26)24-10/h3-5,8,12H,6-7H2,1-2H3,(H,24,26)/t12-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219554
PNG
((R)-3-phenyl-10-(trifluoromethyl)-3,4-dihydro-2H-[...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2ccc3N[C@@H](COc3c12)c1ccccc1
Show InChI InChI=1S/C18H13F3N2O2/c19-18(20,21)11-8-15(24)23-12-6-7-13-17(16(11)12)25-9-14(22-13)10-4-2-1-3-5-10/h1-8,14,22H,9H2,(H,23,24)/t14-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219537
PNG
((R)-3-benzyl-4-(2,2,2-trifluoroethyl)-10-(trifluor...)
Show SMILES FC(F)(F)CN1[C@H](Cc2ccccc2)COc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F
Show InChI InChI=1S/C21H16F6N2O2/c22-20(23,24)11-29-13(8-12-4-2-1-3-5-12)10-31-19-16(29)7-6-15-18(19)14(21(25,26)27)9-17(30)28-15/h1-7,9,13H,8,10-11H2,(H,28,30)/t13-/m1/s1
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n/an/an/an/a 43n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219541
PNG
((R)-3-ethyl-4-propyl-10-(trifluoromethyl)-3,4-dihy...)
Show SMILES CCCN1[C@H](CC)COc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O2/c1-3-7-22-10(4-2)9-24-16-13(22)6-5-12-15(16)11(17(18,19)20)8-14(23)21-12/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,21,23)/t10-/m1/s1
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n/an/an/an/a 394n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219533
PNG
((R)-3-ethyl-10-(trifluoromethyl)-3,4-dihydro-2H-[1...)
Show SMILES CC[C@@H]1COc2c(N1)ccc1[nH]c(=O)cc(c21)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O2/c1-2-7-6-21-13-10(18-7)4-3-9-12(13)8(14(15,16)17)5-11(20)19-9/h3-5,7,18H,2,6H2,1H3,(H,19,20)/t7-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219534
PNG
((R)-3-isobutyl-4-(2,2,2-trifluoroethyl)-10-(triflu...)
Show SMILES CC(C)C[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(F)(F)F
Show InChI InChI=1S/C18H18F6N2O2/c1-9(2)5-10-7-28-16-13(26(10)8-17(19,20)21)4-3-12-15(16)11(18(22,23)24)6-14(27)25-12/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,25,27)/t10-/m1/s1
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n/an/an/an/a 98n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219552
PNG
(4-(cyclopropylmethyl)-3-phenyl-10-(trifluoromethyl...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2ccc3N(CC4CC4)C(COc3c12)c1ccccc1
Show InChI InChI=1S/C22H19F3N2O2/c23-22(24,25)15-10-19(28)26-16-8-9-17-21(20(15)16)29-12-18(14-4-2-1-3-5-14)27(17)11-13-6-7-13/h1-5,8-10,13,18H,6-7,11-12H2,(H,26,28)
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n/an/an/an/a 3.5n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219538
PNG
((R)-3-ethyl-4-isobutyl-10-(trifluoromethyl)-3,4-di...)
Show SMILES CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(C)C
Show InChI InChI=1S/C18H21F3N2O2/c1-4-11-9-25-17-14(23(11)8-10(2)3)6-5-13-16(17)12(18(19,20)21)7-15(24)22-13/h5-7,10-11H,4,8-9H2,1-3H3,(H,22,24)/t11-/m1/s1
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n/an/an/an/a 227n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
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n/an/an/an/a 5.70n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM50219539
PNG
((R)-3-ethyl-4-(2,2,2-trifluoroethyl)-10-(trifluoro...)
Show SMILES CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(F)(F)F
Show InChI InChI=1S/C16H14F6N2O2/c1-2-8-6-26-14-11(24(8)7-15(17,18)19)4-3-10-13(14)9(16(20,21)22)5-12(25)23-10/h3-5,8H,2,6-7H2,1H3,(H,23,25)/t8-/m1/s1
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n/an/an/an/a 1n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219542
PNG
((R)-3,4-diethyl-10-(trifluoromethyl)-3,4-dihydro-2...)
Show SMILES CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC
Show InChI InChI=1S/C16H17F3N2O2/c1-3-9-8-23-15-12(21(9)4-2)6-5-11-14(15)10(16(17,18)19)7-13(22)20-11/h5-7,9H,3-4,8H2,1-2H3,(H,20,22)/t9-/m1/s1
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n/an/an/an/a 410n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219536
PNG
((R)-4-allyl-3-ethyl-10-(trifluoromethyl)-3,4-dihyd...)
Show SMILES CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC=C
Show InChI InChI=1S/C17H17F3N2O2/c1-3-7-22-10(4-2)9-24-16-13(22)6-5-12-15(16)11(17(18,19)20)8-14(23)21-12/h3,5-6,8,10H,1,4,7,9H2,2H3,(H,21,23)/t10-/m1/s1
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n/an/an/an/a 51n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219558
PNG
((R)-4-allyl-3-isopropyl-10-(trifluoromethyl)-3,4-d...)
Show SMILES CC(C)[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC=C
Show InChI InChI=1S/C18H19F3N2O2/c1-4-7-23-13-6-5-12-16(17(13)25-9-14(23)10(2)3)11(18(19,20)21)8-15(24)22-12/h4-6,8,10,14H,1,7,9H2,2-3H3,(H,22,24)/t14-/m0/s1
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n/an/an/an/a 35n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219546
PNG
((R)-4-allyl-3-methyl-10-(trifluoromethyl)-3,4-dihy...)
Show SMILES C[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC=C
Show InChI InChI=1S/C16H15F3N2O2/c1-3-6-21-9(2)8-23-15-12(21)5-4-11-14(15)10(16(17,18)19)7-13(22)20-11/h3-5,7,9H,1,6,8H2,2H3,(H,20,22)/t9-/m1/s1
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n/an/an/an/a 228n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219553
PNG
((R)-3-ethyl-4-methyl-10-(trifluoromethyl)-3,4-dihy...)
Show SMILES CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1C
Show InChI InChI=1S/C15H15F3N2O2/c1-3-8-7-22-14-11(20(8)2)5-4-10-13(14)9(15(16,17)18)6-12(21)19-10/h4-6,8H,3,7H2,1-2H3,(H,19,21)/t8-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219547
PNG
((R)-3-methyl-4-propyl-10-(trifluoromethyl)-3,4-dih...)
Show SMILES CCCN1[C@H](C)COc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O2/c1-3-6-21-9(2)8-23-15-12(21)5-4-11-14(15)10(16(17,18)19)7-13(22)20-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,20,22)/t9-/m1/s1
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n/an/an/an/a 406n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219560
PNG
((R)-4-ethyl-3-methyl-10-(trifluoromethyl)-3,4-dihy...)
Show SMILES CCN1[C@H](C)COc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2O2/c1-3-20-8(2)7-22-14-11(20)5-4-10-13(14)9(15(16,17)18)6-12(21)19-10/h4-6,8H,3,7H2,1-2H3,(H,19,21)/t8-/m1/s1
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n/an/an/an/a 420n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50219559
PNG
((R)-3-methyl-10-(trifluoromethyl)-3,4-dihydro-2H-[...)
Show SMILES C[C@@H]1COc2c(N1)ccc1[nH]c(=O)cc(c21)C(F)(F)F
Show InChI InChI=1S/C13H11F3N2O2/c1-6-5-20-12-9(17-6)3-2-8-11(12)7(13(14,15)16)4-10(19)18-8/h2-4,6,17H,5H2,1H3,(H,18,19)/t6-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 17: 5442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.034
BindingDB Entry DOI: 10.7270/Q23F4PCR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%