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Compile Data Set for Download or QSAR

Found 114 hits Enz. Inhib. hit(s) with Target = 'Androgen Receptor' AND taxid = 10090   
Target
(Institution)
LigandTarget
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


(Mus musculus)
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/a 1n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Displacement of [3H] ]5alpha-DHT from mouse androgen receptor expressed in monkey COS7 cells after 2 hrs by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Mus musculus)
BDBM50329706
PNG
((2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimet...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50170576
PNG
(1-(4-{1-[4-(2,3-Dihydroxy-propylamino)-3-methyl-ph...)
Show SMILES CCC(CC)(c1ccc(NCC(O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H41NO4/c1-8-28(9-2,21-10-12-24(19(3)14-21)29-16-23(31)17-30)22-11-13-25(20(4)15-22)33-18-26(32)27(5,6)7/h10-15,23,29-31H,8-9,16-18H2,1-7H3
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n/an/a 7.60n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Androgen antagonistic activity as inhibitory concentration against testosterone-induced SC-3 cell proliferation


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50170573
PNG
(3-(4-{1-Ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)...)
Show SMILES CCC(CC)(c1ccc(NCC(O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H43NO4/c1-8-28(9-2,21-10-12-24(19(3)14-21)29-16-23(31)17-30)22-11-13-25(20(4)15-22)33-18-26(32)27(5,6)7/h10-15,23,26,29-32H,8-9,16-18H2,1-7H3
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n/an/a 9n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Androgen antagonistic activity as inhibitory concentration against testosterone-induced SC-3 cell proliferation


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50329707
PNG
((S)-3-(4-(3-(4-((S)-2-hydroxy-3,3-dimethylbutoxy)-...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50329704
PNG
((R)-3-(4-(3-(4-((R)-2-hydroxy-3,3-dimethylbutoxy)-...)
Show SMILES CCC(CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50329702
PNG
((R)-1-(4-(3-(4-(2,3-dihydroxypropoxy)-3-methylphen...)
Show SMILES CCC(CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H40O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,29-30H,8-9,16-18H2,1-7H3/t23-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50329704
PNG
((R)-3-(4-(3-(4-((R)-2-hydroxy-3,3-dimethylbutoxy)-...)
Show SMILES CCC(CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Androgen antagonistic activity as inhibitory concentration against testosterone-induced SC-3 cell proliferation


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50329703
PNG
((S)-1-(4-(3-(4-(2,3-dihydroxypropoxy)-3-methylphen...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H40O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,29-30H,8-9,16-18H2,1-7H3/t23-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM8903
PNG
((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Androgen receptor


Bioorg Med Chem Lett 13: 1313-6 (2003)

More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50034134
PNG
(CHEMBL17222 | N-(3-Methyl-butyl)-N-((4aR,6aS,7S,11...)
Show SMILES CC(C)CCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H42N2O2/c1-17(2)12-15-27(16-28)22-9-7-19-18-6-8-21-24(3,14-11-23(29)26(21)5)20(18)10-13-25(19,22)4/h16-22H,6-15H2,1-5H3/t18?,19?,20?,21-,22+,24-,25+/m1/s1
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n/an/a 46n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cells


J Med Chem 38: 1158-73 (1995)

More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50034146
PNG
(CHEMBL417627 | N-Octyl-N-((4aR,6aS,7S,11aR)-1,4a,6...)
Show SMILES CCCCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C28H48N2O2/c1-5-6-7-8-9-10-19-30(20-31)25-14-12-22-21-11-13-24-27(2,18-16-26(32)29(24)4)23(21)15-17-28(22,25)3/h20-25H,5-19H2,1-4H3/t21?,22?,23?,24-,25+,27-,28+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cells


J Med Chem 38: 1158-73 (1995)

More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM35909
PNG
(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)
Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
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n/an/a 52n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cells


J Med Chem 38: 1158-73 (1995)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Mus musculus)
BDBM50034133
PNG
(CHEMBL17206 | N-Heptyl-N-((4aR,6aS,7S,11aR)-1,4a,6...)
Show SMILES CCCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C27H46N2O2/c1-5-6-7-8-9-18-29(19-30)24-13-11-21-20-10-12-23-26(2,17-15-25(31)28(23)4)22(20)14-16-27(21,24)3/h19-24H,5-18H2,1-4H3/t20?,21?,22?,23-,24+,26-,27+/m1/s1
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n/an/a 58n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cells


J Med Chem 38: 1158-73 (1995)

More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50329705
PNG
((R)-3-(4-(3-(4-((S)-2-hydroxy-3,3-dimethylbutoxy)-...)
Show SMILES CCC(CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26-/m1/s1
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n/an/a 68n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50430750
PNG
(CHEMBL2334345)
Show SMILES CC[Si](CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C27H42O5Si/c1-8-33(9-2,22-10-12-24(19(3)14-22)31-17-21(29)16-28)23-11-13-25(20(4)15-23)32-18-26(30)27(5,6)7/h10-15,21,26,28-30H,8-9,16-18H2,1-7H3/t21-,26-/m1/s1
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n/an/a 72n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell growth after 3 day...


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50034154
PNG
(CHEMBL17506 | N-Hexyl-N-((4aR,6aS,7S,11aR)-1,4a,6a...)
Show SMILES CCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C26H44N2O2/c1-5-6-7-8-17-28(18-29)23-12-10-20-19-9-11-22-25(2,16-14-24(30)27(22)4)21(19)13-15-26(20,23)3/h18-23H,5-17H2,1-4H3/t19?,20?,21?,22-,23+,25-,26+/m1/s1
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n/an/a 89n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cells


J Med Chem 38: 1158-73 (1995)

More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50034144
PNG
(CHEMBL16533 | N-(1-Ethyl-propyl)-N-((4aR,6aS,7S,11...)
Show SMILES CCC(CC)N(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H42N2O2/c1-6-17(7-2)27(16-28)22-11-9-19-18-8-10-21-24(3,15-13-23(29)26(21)5)20(18)12-14-25(19,22)4/h16-22H,6-15H2,1-5H3/t18?,19?,20?,21-,22+,24-,25+/m1/s1
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n/an/a 90n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cells


J Med Chem 38: 1158-73 (1995)

More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50034137
PNG
(CHEMBL275153 | N-Pentyl-N-((4aR,6aS,7S,11aR)-1,4a,...)
Show SMILES CCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-16-27(17-28)22-11-9-19-18-8-10-21-24(2,15-13-23(29)26(21)4)20(18)12-14-25(19,22)3/h17-22H,5-16H2,1-4H3/t18?,19?,20?,21-,22+,24-,25+/m1/s1
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n/an/a 96n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cells


J Med Chem 38: 1158-73 (1995)

More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50034138
PNG
(CHEMBL16927 | N-Cyclohexyl-N-((4aR,6aS,7S,11aR)-1,...)
Show SMILES CN1[C@@H]2CCC3C4CC[C@H](N(C=O)C5CCCCC5)[C@@]4(C)CCC3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C26H42N2O2/c1-25-16-14-24(30)27(3)22(25)11-9-19-20-10-12-23(26(20,2)15-13-21(19)25)28(17-29)18-7-5-4-6-8-18/h17-23H,4-16H2,1-3H3/t19?,20?,21?,22-,23+,25-,26+/m1/s1
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n/an/a 110n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cells


J Med Chem 38: 1158-73 (1995)

More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50430749
PNG
(CHEMBL2334724)
Show SMILES CC[Si](CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C27H40O5Si/c1-8-33(9-2,22-10-12-24(19(3)14-22)31-17-21(29)16-28)23-11-13-25(20(4)15-23)32-18-26(30)27(5,6)7/h10-15,21,28-29H,8-9,16-18H2,1-7H3/t21-/m1/s1
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n/an/a 113n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell growth after 3 day...


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50329715
PNG
((2S)-3-(4-(3-(4-(2-hydroxy-3,3-dimethyl-6-phenylhe...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)CCCc2ccccc2)c(C)c1
Show InChI InChI=1S/C36H50O5/c1-7-36(8-2,29-16-18-32(26(3)21-29)40-24-31(38)23-37)30-17-19-33(27(4)22-30)41-25-34(39)35(5,6)20-12-15-28-13-10-9-11-14-28/h9-11,13-14,16-19,21-22,31,34,37-39H,7-8,12,15,20,23-25H2,1-6H3/t31-,34?/m0/s1
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n/an/a 130n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50034153
PNG
(CHEMBL17268 | N-Isopropyl-N-((4aR,6aS,7S,11aR)-1,4...)
Show SMILES CC(C)N(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C23H38N2O2/c1-15(2)25(14-26)20-9-7-17-16-6-8-19-22(3,13-11-21(27)24(19)5)18(16)10-12-23(17,20)4/h14-20H,6-13H2,1-5H3/t16?,17?,18?,19-,20+,22-,23+/m1/s1
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n/an/a 162n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cells


J Med Chem 38: 1158-73 (1995)

More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50034143
PNG
(CHEMBL277053 | N-Butyl-N-((4aR,6aS,7S,11aR)-1,4a,6...)
Show SMILES CCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C24H40N2O2/c1-5-6-15-26(16-27)21-10-8-18-17-7-9-20-23(2,14-12-22(28)25(20)4)19(17)11-13-24(18,21)3/h16-21H,5-15H2,1-4H3/t17?,18?,19?,20-,21+,23-,24+/m1/s1
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n/an/a 166n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cells


J Med Chem 38: 1158-73 (1995)

More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50034142
PNG
(CHEMBL16863 | N-(3,3-Dimethyl-butyl)-N-((4aR,6aS,7...)
Show SMILES CN1[C@@H]2CCC3C4CC[C@H](N(CCC(C)(C)C)C=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C26H44N2O2/c1-24(2,3)15-16-28(17-29)22-10-8-19-18-7-9-21-25(4,14-12-23(30)27(21)6)20(18)11-13-26(19,22)5/h17-22H,7-16H2,1-6H3/t18?,19?,20?,21-,22+,25-,26+/m1/s1
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n/an/a 171n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cells


J Med Chem 38: 1158-73 (1995)

More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50215718
PNG
((2S,3R)-methyl 1-(3-chloro-4-cyano-2-methylphenyls...)
Show SMILES COC(=O)[C@@H]1[C@H](O)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1C
Show InChI InChI=1S/C14H15ClN2O5S/c1-8-11(4-3-9(7-16)12(8)15)23(20,21)17-6-5-10(18)13(17)14(19)22-2/h3-4,10,13,18H,5-6H2,1-2H3/t10-,13+/m1/s1
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n/an/a 278n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor in mouse C2C12 cells by receptor transactivation assay


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM35909
PNG
(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)
Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
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n/an/a 370n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at androgen receptor in mouse SC3 cells assessed as inhibition of DHT-induced cell growth after 3 days by CCK-8/WST-8 assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Mus musculus)
BDBM50126111
PNG
(4-(4,4-Dimethyl-2-thioxo-1,4-dihydro-2H-benzo[d][1...)
Show SMILES CC1(C)OC(=S)Nc2ccc(cc12)-c1csc(c1)C#N
Show InChI InChI=1S/C15H12N2OS2/c1-15(2)12-6-9(10-5-11(7-16)20-8-10)3-4-13(12)17-14(19)18-15/h3-6,8H,1-2H3,(H,17,19)
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n/an/a 379n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Androgen receptor


Bioorg Med Chem Lett 13: 1313-6 (2003)

More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50430945
PNG
(CHEMBL2336987)
Show SMILES CCOc1ccc2CN(CCc2c1)c1ccc(cn1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C23H24N4O2/c1-3-29-20-9-7-19-15-27(12-11-17(19)13-20)22-10-8-18(14-24-22)23(28)26-21-6-4-5-16(2)25-21/h4-10,13-14H,3,11-12,15H2,1-2H3,(H,25,26,28)
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n/an/a 460n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Agonist activity at mouse androgen receptor assessed as inhibition of transactivation after 24 hrs by cell-based luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50034147
PNG
((4aR,6aS,7S,11aR)-1,4a,6a-Trimethyl-2-oxo-hexadeca...)
Show SMILES CCN(CC)C(=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C24H40N2O2/c1-6-26(7-2)22(28)19-10-9-17-16-8-11-20-24(4,15-13-21(27)25(20)5)18(16)12-14-23(17,19)3/h16-20H,6-15H2,1-5H3/t16?,17?,18?,19-,20-,23+,24-/m1/s1
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n/an/a 463n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cells


J Med Chem 38: 1158-73 (1995)

More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
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=1S/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 670n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Mus musculus)
BDBM50442124
PNG
(CHEMBL2441094)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)c(C)c1
Show InChI InChI=1S/C21H19NO4/c1-14-12-16(22-21(24)15-4-3-5-19(13-15)25-2)6-11-20(14)26-18-9-7-17(23)8-10-18/h3-13,23H,1-2H3,(H,22,24)
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n/an/a 750n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at androgen receptor in mouse SC3 cells assessed as inhibition of DHT-induced cell growth after 3 days by CCK-8/WST-8 assay


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50170578
PNG
(1-(4-{1-Ethyl-1-[4-(3-hydroxy-3-methyl-butylamino)...)
Show SMILES CCC(CC)(c1ccc(NCCC(C)(C)O)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C30H45NO3/c1-10-30(11-2,23-12-14-25(21(3)18-23)31-17-16-29(8,9)33)24-13-15-26(22(4)19-24)34-20-27(32)28(5,6)7/h12-15,18-19,31,33H,10-11,16-17,20H2,1-9H3
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n/an/a 820n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Androgen antagonistic activity as inhibitory concentration against testosterone-induced SC-3 cell proliferation


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50329714
PNG
((2S)-3-(4-(3-(4-(2-hydroxy-3,3-dimethyl-5-phenylpe...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)CCc2ccccc2)c(C)c1
Show InChI InChI=1S/C35H48O5/c1-7-35(8-2,28-14-16-31(25(3)20-28)39-23-30(37)22-36)29-15-17-32(26(4)21-29)40-24-33(38)34(5,6)19-18-27-12-10-9-11-13-27/h9-17,20-21,30,33,36-38H,7-8,18-19,22-24H2,1-6H3/t30-,33?/m0/s1
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n/an/a 880n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50034132
PNG
(CHEMBL274276 | N-Propyl-N-((4aR,6aS,7S,11aR)-1,4a,...)
Show SMILES CCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C23H38N2O2/c1-5-14-25(15-26)20-9-7-17-16-6-8-19-22(2,13-11-21(27)24(19)4)18(16)10-12-23(17,20)3/h15-20H,5-14H2,1-4H3/t16?,17?,18?,19-,20+,22-,23+/m1/s1
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n/an/a 989n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cells


J Med Chem 38: 1158-73 (1995)

More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50430946
PNG
(CHEMBL2336980)
Show SMILES COc1ccc2CN(CCc2c1OC)c1ccc(cn1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C23H24N4O3/c1-15-5-4-6-20(25-15)26-23(28)16-8-10-21(24-13-16)27-12-11-18-17(14-27)7-9-19(29-2)22(18)30-3/h4-10,13H,11-12,14H2,1-3H3,(H,25,26,28)
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n/an/a 990n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Agonist activity at mouse androgen receptor assessed as inhibition of transactivation after 24 hrs by cell-based luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50034139
PNG
(CHEMBL16690 | N-Isobutyl-N-((4aR,6aS,7S,11aR)-1,4a...)
Show SMILES CC(C)CN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C24H40N2O2/c1-16(2)14-26(15-27)21-9-7-18-17-6-8-20-23(3,13-11-22(28)25(20)5)19(17)10-12-24(18,21)4/h15-21H,6-14H2,1-5H3/t17?,18?,19?,20-,21+,23-,24+/m1/s1
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n/an/a 994n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cells


J Med Chem 38: 1158-73 (1995)

More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50410422
PNG
(CHEMBL199131)
Show SMILES CCC(CC)(c1ccc(NCC(O)C(C)(C)C)c(C)c1)c1ccc(NCC(O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C31H50N2O2/c1-11-31(12-2,23-13-15-25(21(3)17-23)32-19-27(34)29(5,6)7)24-14-16-26(22(4)18-24)33-20-28(35)30(8,9)10/h13-18,27-28,32-35H,11-12,19-20H2,1-10H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Androgen antagonistic activity as inhibitory concentration against testosterone-induced SC-3 cell proliferation


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50410421
PNG
(CHEMBL199122)
Show SMILES CCC(CC)(c1ccc(NCC(=O)C(C)(C)C)c(C)c1)c1ccc(NCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C31H46N2O2/c1-11-31(12-2,23-13-15-25(21(3)17-23)32-19-27(34)29(5,6)7)24-14-16-26(22(4)18-24)33-20-28(35)30(8,9)10/h13-18,32-33H,11-12,19-20H2,1-10H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Androgen antagonistic activity as inhibitory concentration against testosterone-induced SC-3 cell proliferation


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50329708
PNG
((S)-1-(4-(3-(4-(2,3-dihydroxypropoxy)-3-methylphen...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)CCc2ccccc2)c(C)c1
Show InChI InChI=1S/C35H46O5/c1-7-35(8-2,28-14-16-31(25(3)20-28)39-23-30(37)22-36)29-15-17-32(26(4)21-29)40-24-33(38)34(5,6)19-18-27-12-10-9-11-13-27/h9-17,20-21,30,36-37H,7-8,18-19,22-24H2,1-6H3/t30-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50410423
PNG
(CHEMBL198213)
Show SMILES CCC(CC)(c1ccc(NCC(=O)C(C)(C)C)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C31H45NO3/c1-11-31(12-2,23-13-15-25(21(3)17-23)32-19-27(33)29(5,6)7)24-14-16-26(22(4)18-24)35-20-28(34)30(8,9)10/h13-18,32H,11-12,19-20H2,1-10H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Androgen antagonistic activity as inhibitory concentration against testosterone-induced SC-3 cell proliferation


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM35909
PNG
(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)
Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
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n/an/a 1.40E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell growth after 3 day...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Mus musculus)
BDBM50430944
PNG
(CHEMBL2336966)
Show SMILES Cc1cccc(NC(=O)c2ccc(nc2)N2CCc3ccccc3C2)n1
Show InChI InChI=1S/C21H20N4O/c1-15-5-4-8-19(23-15)24-21(26)17-9-10-20(22-13-17)25-12-11-16-6-2-3-7-18(16)14-25/h2-10,13H,11-12,14H2,1H3,(H,23,24,26)
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n/an/a 1.46E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Displacement of [3H] ]5alpha-DHT from mouse androgen receptor expressed in monkey COS7 cells after 2 hrs by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50034163
PNG
(CHEMBL17193 | N-Methyl-N-((4aR,6aS,7S,11aR)-1,4a,6...)
Show SMILES CN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H34N2O2/c1-20-11-9-16-14(15(20)6-8-17(20)22(3)13-24)5-7-18-21(16,2)12-10-19(25)23(18)4/h13-18H,5-12H2,1-4H3/t14?,15?,16?,17-,18+,20-,21+/m0/s1
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n/an/a 1.48E+3n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cells


J Med Chem 38: 1158-73 (1995)

More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50329713
PNG
((2S)-3-(4-(3-(4-(2-hydroxy-3,3-dimethyl-4-phenylbu...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)Cc2ccccc2)c(C)c1
Show InChI InChI=1S/C34H46O5/c1-7-34(8-2,27-14-16-30(24(3)18-27)38-22-29(36)21-35)28-15-17-31(25(4)19-28)39-23-32(37)33(5,6)20-26-12-10-9-11-13-26/h9-19,29,32,35-37H,7-8,20-23H2,1-6H3/t29-,32?/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM36720
PNG
(LG190155)
Show SMILES CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C31H44O4/c1-11-31(12-2,23-13-15-25(21(3)17-23)34-19-27(32)29(5,6)7)24-14-16-26(22(4)18-24)35-20-28(33)30(8,9)10/h13-18H,11-12,19-20H2,1-10H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Androgen antagonistic activity as inhibitory concentration against testosterone-induced SC-3 cell proliferation


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50442125
PNG
(CHEMBL2441107)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H17NO4/c1-24-19-4-2-3-14(13-19)20(23)21-15-5-9-17(10-6-15)25-18-11-7-16(22)8-12-18/h2-13,22H,1H3,(H,21,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at androgen receptor in mouse SC3 cells assessed as inhibition of DHT-induced cell growth after 3 days by CCK-8/WST-8 assay


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50442123
PNG
(CHEMBL2441092)
Show SMILES COc1cccc(c1)C(=O)Nc1cc(C)c(Oc2ccc(O)cc2)c(C)c1
Show InChI InChI=1S/C22H21NO4/c1-14-11-17(23-22(25)16-5-4-6-20(13-16)26-3)12-15(2)21(14)27-19-9-7-18(24)8-10-19/h4-13,24H,1-3H3,(H,23,25)
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n/an/a 2.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at androgen receptor in mouse SC3 cells assessed as inhibition of DHT-induced cell growth after 3 days by CCK-8/WST-8 assay


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50442131
PNG
(CHEMBL2441100)
Show SMILES CN(C)c1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1
Show InChI InChI=1S/C21H20N2O3/c1-23(2)17-5-3-4-15(14-17)21(25)22-16-6-10-19(11-7-16)26-20-12-8-18(24)9-13-20/h3-14,24H,1-2H3,(H,22,25)
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at androgen receptor in mouse SC3 cells assessed as inhibition of DHT-induced cell growth after 3 days by CCK-8/WST-8 assay


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
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=1S/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 3.00E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell growth after 3 day...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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