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Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'chang' and Initial = 'wy'   
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))
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=1/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-/s2
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0.200 -57.6n/an/a 5.10n/an/a7.437



Ligand Pharmaceuticals Inc



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 5049-52 (2007)


Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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=1/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-/s2
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0.900n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
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=1/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-/s2
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0.900n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50377413
PNG
(CHEMBL257379)
Show SMILES Cc1cccc(c1)[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H16F6N2O2/c1-11-3-2-4-12(5-11)17-9-31-18-8-15-13(6-16(18)29(17)10-20(22,23)24)14(21(25,26)27)7-19(30)28-15/h2-8,17H,9-10H2,1H3,(H,28,30)/t17-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377414
PNG
(CHEMBL402835)
Show SMILES FC(F)(F)CN1[C@@H](COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C20H14F6N2O2/c21-19(22,23)10-28-15-6-12-13(20(24,25)26)7-18(29)27-14(12)8-17(15)30-9-16(28)11-4-2-1-3-5-11/h1-8,16H,9-10H2,(H,27,29)/t16-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18522
PNG
(6-(1-Pyrrolidine)quinolin-2(1H)-one, 6a | 6-[(2R,5...)
Show SMILES C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
Show InChI InChI=1/C17H16F6N2O2/c1-8-2-5-13(15(27)17(21,22)23)25(8)9-3-4-12-10(6-9)11(16(18,19)20)7-14(26)24-12/h3-4,6-8,13,15,27H,2,5H2,1H3,(H,24,26)/t8-,13-,15-/s2
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1.5 -52.4n/an/a 7.10n/an/a7.437



Ligand Pharmaceuticals Inc



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 5049-52 (2007)


Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377415
PNG
(CHEMBL404483)
Show SMILES CSCC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H16F6N2O2S/c1-28-3-2-9-7-27-14-6-12-10(4-13(14)25(9)8-16(18,19)20)11(17(21,22)23)5-15(26)24-12/h4-6,9H,2-3,7-8H2,1H3,(H,24,26)/t9-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377419
PNG
(CHEMBL429311)
Show SMILES FC[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H11F7N2O2/c16-4-7-5-26-12-3-10-8(1-11(12)24(7)6-14(17,18)19)9(15(20,21)22)2-13(25)23-10/h1-3,7H,4-6H2,(H,23,25)/t7-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18524
PNG
(6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromet...)
Show SMILES FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
Show InChI InChI=1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4H,5-6H2,(H,24,26)
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4.60 -49.5n/an/a 0.200n/an/a7.437



Ligand Pharmaceuticals Inc



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 5049-52 (2007)


Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50377411
PNG
(CHEMBL401805)
Show SMILES FC(F)(F)CN1[C@H](COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H9F9N2O2/c16-13(17,18)5-26-9-1-6-7(14(19,20)21)2-12(27)25-8(6)3-10(9)28-4-11(26)15(22,23)24/h1-3,11H,4-5H2,(H,25,27)/t11-/m1/s1
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5.90n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377417
PNG
(CHEMBL256326)
Show SMILES FC(F)C1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1/C15H10F8N2O2/c16-13(17)10-4-27-11-3-8-6(1-9(11)25(10)5-14(18,19)20)7(15(21,22)23)2-12(26)24-8/h1-3,10,13H,4-5H2,(H,24,26)
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6.60n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18523
PNG
(6-(1-Pyrrolidine)quinolin-2(1H)-one, 6b | 6-[(2R,5...)
Show SMILES C[C@@H]1CC[C@H]([C@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
Show InChI InChI=1/C17H16F6N2O2/c1-8-2-5-13(15(27)17(21,22)23)25(8)9-3-4-12-10(6-9)11(16(18,19)20)7-14(26)24-12/h3-4,6-8,13,15,27H,2,5H2,1H3,(H,24,26)/t8-,13-,15+/s2
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7.60 -48.2n/an/a 8.40n/an/a7.437



Ligand Pharmaceuticals Inc



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 5049-52 (2007)


Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377410
PNG
(CHEMBL257988)
Show SMILES FC(F)(F)CN1[C@@H](COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H9F9N2O2/c16-13(17,18)5-26-9-1-6-7(14(19,20)21)2-12(27)25-8(6)3-10(9)28-4-11(26)15(22,23)24/h1-3,11H,4-5H2,(H,25,27)/t11-/m0/s1
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8.30n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377425
PNG
(CHEMBL402039)
Show SMILES COC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H14F6N2O3/c1-26-5-8-6-27-13-4-11-9(2-12(13)24(8)7-15(17,18)19)10(16(20,21)22)3-14(25)23-11/h2-4,8H,5-7H2,1H3,(H,23,25)/t8-/m1/s1
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9.40n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18521
PNG
(6-(1-Pyrrolidine)quinolin-2(1H)-one, 4f | 6-[(2R,5...)
Show SMILES C[C@@H]1CC[C@H](CCl)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
Show InChI InChI=1/C16H16ClF3N2O/c1-9-2-3-11(8-17)22(9)10-4-5-14-12(6-10)13(16(18,19)20)7-15(23)21-14/h4-7,9,11H,2-3,8H2,1H3,(H,21,23)/t9-,11-/s2
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10 -47.5n/an/a 12n/an/a7.437



Ligand Pharmaceuticals Inc



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 5049-52 (2007)


Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377409
PNG
(CHEMBL404512)
Show SMILES OC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H12F6N2O3/c16-14(17,18)6-23-7(4-24)5-26-12-3-10-8(1-11(12)23)9(15(19,20)21)2-13(25)22-10/h1-3,7,24H,4-6H2,(H,22,25)/t7-/m1/s1
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15n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377420
PNG
(CHEMBL256126)
Show SMILES FC(F)(F)CN1C(CC#N)COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1/C16H11F6N3O2/c17-15(18,19)7-25-8(1-2-23)6-27-13-5-11-9(3-12(13)25)10(16(20,21)22)4-14(26)24-11/h3-5,8H,1,6-7H2,(H,24,26)
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18n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377416
PNG
(CHEMBL256284)
Show SMILES FC(F)(F)C[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H11F9N2O2/c17-14(18,19)4-7-5-29-12-3-10-8(1-11(12)27(7)6-15(20,21)22)9(16(23,24)25)2-13(28)26-10/h1-3,7H,4-6H2,(H,26,28)/t7-/m1/s1
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18n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18518
PNG
(6-(1-Pyrrolidine)quinolin-2(1H)-one, 4c | 6-[(2R,5...)
Show SMILES C[C@H]1CC[C@@H](C)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
Show InChI InChI=1/C16H17F3N2O/c1-9-3-4-10(2)21(9)11-5-6-14-12(7-11)13(16(17,18)19)8-15(22)20-14/h5-10H,3-4H2,1-2H3,(H,20,22)/t9-,10+
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19 -45.8n/an/a 2.60n/an/a7.437



Ligand Pharmaceuticals Inc



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 5049-52 (2007)


Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377426
PNG
(CHEMBL436644)
Show SMILES OC[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H12F6N2O3/c16-14(17,18)6-23-7(4-24)5-26-12-3-10-8(1-11(12)23)9(15(19,20)21)2-13(25)22-10/h1-3,7,24H,4-6H2,(H,22,25)/t7-/m0/s1
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22n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377418
PNG
(CHEMBL254798)
Show SMILES FC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H11F7N2O2/c16-4-7-5-26-12-3-10-8(1-11(12)24(7)6-14(17,18)19)9(15(20,21)22)2-13(25)23-10/h1-3,7H,4-6H2,(H,23,25)/t7-/m1/s1
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32n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18519
PNG
(6-(1-Pyrrolidine)quinolin-2(1H)-one, 4d (+/-) | 6-...)
Show SMILES C[C@@H]1CC[C@@H](C)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
Show InChI InChI=1/C16H17F3N2O/c1-9-3-4-10(2)21(9)11-5-6-14-12(7-11)13(16(17,18)19)8-15(22)20-14/h5-10H,3-4H2,1-2H3,(H,20,22)/t9-,10-/s2
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43 -43.7n/an/a 48n/an/a7.437



Ligand Pharmaceuticals Inc



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 5049-52 (2007)


Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
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70 -42.5 128n/an/an/an/a7.437



Ligand Pharmaceuticals Inc



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 5049-52 (2007)


Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM18520
PNG
(6-(1-Pyrrolidine)quinolin-2(1H)-one, 4e | 6-[(2R,5...)
Show SMILES C[C@@H]1CC[C@H](CO)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
Show InChI InChI=1/C16H17F3N2O2/c1-9-2-3-11(8-22)21(9)10-4-5-14-12(6-10)13(16(17,18)19)7-15(23)20-14/h4-7,9,11,22H,2-3,8H2,1H3,(H,20,23)/t9-,11-/s2
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70 -42.5n/an/a 21n/an/a7.437



Ligand Pharmaceuticals Inc



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 5049-52 (2007)


Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18517
PNG
(6-(1-Pyrrolidine)quinolin-2(1H)-one, 4b(+/-) | 6-(...)
Show SMILES CC1CCCN1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
Show InChI InChI=1/C15H15F3N2O/c1-9-3-2-6-20(9)10-4-5-13-11(7-10)12(15(16,17)18)8-14(21)19-13/h4-5,7-9H,2-3,6H2,1H3,(H,19,21)
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72 -42.4n/an/a 13n/an/a7.437



Ligand Pharmaceuticals Inc



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 5049-52 (2007)


Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377424
PNG
(CHEMBL404568)
Show SMILES COC[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H14F6N2O3/c1-26-5-8-6-27-13-4-11-9(2-12(13)24(8)7-15(17,18)19)10(16(20,21)22)3-14(25)23-11/h2-4,8H,5-7H2,1H3,(H,23,25)/t8-/m0/s1
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109n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377428
PNG
(CHEMBL404222)
Show SMILES FC(F)(F)CN1[C@H](COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C20H14F6N2O2/c21-19(22,23)10-28-15-6-12-13(20(24,25)26)7-18(29)27-14(12)8-17(15)30-9-16(28)11-4-2-1-3-5-11/h1-8,16H,9-10H2,(H,27,29)/t16-/m1/s1
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150n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
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151n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50377427
PNG
(CHEMBL257387)
Show SMILES Cc1cccc(c1)[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H16F6N2O2/c1-11-3-2-4-12(5-11)17-9-31-18-8-15-13(6-16(18)29(17)10-20(22,23)24)14(21(25,26)27)7-19(30)28-15/h2-8,17H,9-10H2,1H3,(H,28,30)/t17-/m1/s1
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180n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377410
PNG
(CHEMBL257988)
Show SMILES FC(F)(F)CN1[C@@H](COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H9F9N2O2/c16-13(17,18)5-26-9-1-6-7(14(19,20)21)2-12(27)25-8(6)3-10(9)28-4-11(26)15(22,23)24/h1-3,11H,4-5H2,(H,25,27)/t11-/m0/s1
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281n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18516
PNG
(6-(1-Pyrrolidine)quinolin-2(1H)-one, 4a | 6-(pyrro...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2ccc(cc12)N1CCCC1
Show InChI InChI=1S/C14H13F3N2O/c15-14(16,17)11-8-13(20)18-12-4-3-9(7-10(11)12)19-5-1-2-6-19/h3-4,7-8H,1-2,5-6H2,(H,18,20)
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1.70E+3 -34.3 25n/an/an/an/a7.437



Ligand Pharmaceuticals Inc



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 5049-52 (2007)


Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/s2
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n/an/a>2n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 5049-52 (2007)


Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50377424
PNG
(CHEMBL404568)
Show SMILES COC[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H14F6N2O3/c1-26-5-8-6-27-13-4-11-9(2-12(13)24(8)7-15(17,18)19)10(16(20,21)22)3-14(25)23-11/h2-4,8H,5-7H2,1H3,(H,23,25)/t8-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377421
PNG
(CHEMBL255918)
Show SMILES CSCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1/C16H14F6N2O2S/c1-27-6-8-5-26-13-4-11-9(2-12(13)24(8)7-15(17,18)19)10(16(20,21)22)3-14(25)23-11/h2-4,8H,5-7H2,1H3,(H,23,25)
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n/an/a 25n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377410
PNG
(CHEMBL257988)
Show SMILES FC(F)(F)CN1[C@@H](COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H9F9N2O2/c16-13(17,18)5-26-9-1-6-7(14(19,20)21)2-12(27)25-8(6)3-10(9)28-4-11(26)15(22,23)24/h1-3,11H,4-5H2,(H,25,27)/t11-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377429
PNG
(CHEMBL256329)
Show SMILES Cc1ccc(cc1)[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H16F6N2O2/c1-11-2-4-12(5-3-11)17-9-31-18-8-15-13(6-16(18)29(17)10-20(22,23)24)14(21(25,26)27)7-19(30)28-15/h2-8,17H,9-10H2,1H3,(H,28,30)/t17-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377430
PNG
(CHEMBL256082)
Show SMILES FC(F)(F)CN1[C@H](Cc2ccccc2)COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C21H16F6N2O2/c22-20(23,24)11-29-13(6-12-4-2-1-3-5-12)10-31-18-9-16-14(7-17(18)29)15(21(25,26)27)8-19(30)28-16/h1-5,7-9,13H,6,10-11H2,(H,28,30)/t13-/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377409
PNG
(CHEMBL404512)
Show SMILES OC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H12F6N2O3/c16-14(17,18)6-23-7(4-24)5-26-12-3-10-8(1-11(12)23)9(15(19,20)21)2-13(25)22-10/h1-3,7,24H,4-6H2,(H,22,25)/t7-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
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=1/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-/s2
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n/an/a 70n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
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n/an/a 162n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50377426
PNG
(CHEMBL436644)
Show SMILES OC[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H12F6N2O3/c16-14(17,18)6-23-7(4-24)5-26-12-3-10-8(1-11(12)23)9(15(19,20)21)2-13(25)22-10/h1-3,7,24H,4-6H2,(H,22,25)/t7-/m0/s1
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n/an/a 165n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377418
PNG
(CHEMBL254798)
Show SMILES FC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H11F7N2O2/c16-4-7-5-26-12-3-10-8(1-11(12)24(7)6-14(17,18)19)9(15(20,21)22)2-13(25)23-10/h1-3,7H,4-6H2,(H,23,25)/t7-/m1/s1
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n/an/a 199n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377428
PNG
(CHEMBL404222)
Show SMILES FC(F)(F)CN1[C@H](COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C20H14F6N2O2/c21-19(22,23)10-28-15-6-12-13(20(24,25)26)7-18(29)27-14(12)8-17(15)30-9-16(28)11-4-2-1-3-5-11/h1-8,16H,9-10H2,(H,27,29)/t16-/m1/s1
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n/an/a 340n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377427
PNG
(CHEMBL257387)
Show SMILES Cc1cccc(c1)[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H16F6N2O2/c1-11-3-2-4-12(5-11)17-9-31-18-8-15-13(6-16(18)29(17)10-20(22,23)24)14(21(25,26)27)7-19(30)28-15/h2-8,17H,9-10H2,1H3,(H,28,30)/t17-/m1/s1
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n/an/a 574n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377420
PNG
(CHEMBL256126)
Show SMILES FC(F)(F)CN1C(CC#N)COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1/C16H11F6N3O2/c17-15(18,19)7-25-8(1-2-23)6-27-13-5-11-9(3-12(13)25)10(16(20,21)22)4-14(26)24-11/h3-5,8H,1,6-7H2,(H,24,26)
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n/an/an/an/a 30n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377421
PNG
(CHEMBL255918)
Show SMILES CSCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1/C16H14F6N2O2S/c1-27-6-8-5-26-13-4-11-9(2-12(13)24(8)7-15(17,18)19)10(16(20,21)22)3-14(25)23-11/h2-4,8H,5-7H2,1H3,(H,23,25)
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n/an/an/an/a 28n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377422
PNG
(CHEMBL255655)
Show SMILES CCCOCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1/C18H18F6N2O3/c1-2-3-28-7-10-8-29-15-6-13-11(4-14(15)26(10)9-17(19,20)21)12(18(22,23)24)5-16(27)25-13/h4-6,10H,2-3,7-9H2,1H3,(H,25,27)
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n/an/an/an/a 4.20n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377423
PNG
(CHEMBL257396)
Show SMILES CCOCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1/C17H16F6N2O3/c1-2-27-6-9-7-28-14-5-12-10(3-13(14)25(9)8-16(18,19)20)11(17(21,22)23)4-15(26)24-12/h3-5,9H,2,6-8H2,1H3,(H,24,26)
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n/an/an/an/a 3.20n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377424
PNG
(CHEMBL404568)
Show SMILES COC[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H14F6N2O3/c1-26-5-8-6-27-13-4-11-9(2-12(13)24(8)7-15(17,18)19)10(16(20,21)22)3-14(25)23-11/h2-4,8H,5-7H2,1H3,(H,23,25)/t8-/m0/s1
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n/an/an/an/a 77n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50377425
PNG
(CHEMBL402039)
Show SMILES COC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H14F6N2O3/c1-26-5-8-6-27-13-4-11-9(2-12(13)24(8)7-15(17,18)19)10(16(20,21)22)3-14(25)23-11/h2-4,8H,5-7H2,1H3,(H,23,25)/t8-/m1/s1
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n/an/an/an/a 2n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
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