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Compile Data Set for Download or QSAR

Found 155 hits with Last Name = 'tachibana' and Initial = 'k'   
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))
BDBM50317662
PNG
(3-[3-(3-Chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2...)
Show SMILES CC1(C)N(CCCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C15H17ClN4O3S2/c1-15(2)13(21)20(11-5-4-10(9-17)12(16)8-11)14(24)19(15)6-3-7-25(18,22)23/h4-5,8H,3,6-7H2,1-2H3,(H2,18,22,23)
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n/an/a 10n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at AR in human bicalutamide-resistant LNCAP cells assessed as inhibition of cell proliferation after 6 days


Bioorg Med Chem 18: 8150-7 (2010)


Article DOI: 10.1016/j.bmc.2010.10.023
BindingDB Entry DOI: 10.7270/Q29S1S1P
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50317662
PNG
(3-[3-(3-Chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2...)
Show SMILES CC1(C)N(CCCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C15H17ClN4O3S2/c1-15(2)13(21)20(11-5-4-10(9-17)12(16)8-11)14(24)19(15)6-3-7-25(18,22)23/h4-5,8H,3,6-7H2,1-2H3,(H2,18,22,23)
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n/an/a 12n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at AR in bicalutamide-resistant human LNCAP cells assessed as effect on cell proliferation after 6 days


Bioorg Med Chem 18: 3159-68 (2010)


Article DOI: 10.1016/j.bmc.2010.03.036
BindingDB Entry DOI: 10.7270/Q2DJ5GK5
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50317664
PNG
(2-(trifluoromethyl)-4-(3,4,4-trimethyl-5-oxo-2-thi...)
Show SMILES CN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H12F3N3OS/c1-13(2)11(21)20(12(22)19(13)3)9-5-4-8(7-18)10(6-9)14(15,16)17/h4-6H,1-3H3
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n/an/a 15n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human AR expressed in CHO-K1 cells after 2 hrs by scintillation counting


Bioorg Med Chem 18: 3159-68 (2010)


Article DOI: 10.1016/j.bmc.2010.03.036
BindingDB Entry DOI: 10.7270/Q2DJ5GK5
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50317655
PNG
(3-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...)
Show SMILES CC1(C)N(CCCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H17F3N4O3S2/c1-15(2)13(24)23(14(27)22(15)6-3-7-28(21,25)26)11-5-4-10(9-20)12(8-11)16(17,18)19/h4-5,8H,3,6-7H2,1-2H3,(H2,21,25,26)
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n/an/a 18n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at AR in bicalutamide-resistant human LNCAP cells assessed as effect on cell proliferation after 6 days


Bioorg Med Chem 18: 3159-68 (2010)


Article DOI: 10.1016/j.bmc.2010.03.036
BindingDB Entry DOI: 10.7270/Q2DJ5GK5
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50331872
PNG
(5-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...)
Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1cncc(c1)S(N)(=O)=O
Show InChI InChI=1S/C18H14F3N5O3S2/c1-17(2)15(27)25(11-4-3-10(7-22)14(6-11)18(19,20)21)16(30)26(17)12-5-13(9-24-8-12)31(23,28)29/h3-6,8-9H,1-2H3,(H2,23,28,29)
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n/an/a 30n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at AR in human bicalutamide-resistant LNCAP cells assessed as inhibition of cell proliferation after 6 days


Bioorg Med Chem 18: 8150-7 (2010)


Article DOI: 10.1016/j.bmc.2010.10.023
BindingDB Entry DOI: 10.7270/Q29S1S1P
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50317656
PNG
(3-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...)
Show SMILES CNS(=O)(=O)CCCN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H19F3N4O3S2/c1-16(2)14(25)24(15(28)23(16)7-4-8-29(26,27)22-3)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,22H,4,7-8H2,1-3H3
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n/an/a 30n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at AR in bicalutamide-resistant human LNCAP cells assessed as effect on cell proliferation after 6 days


Bioorg Med Chem 18: 3159-68 (2010)


Article DOI: 10.1016/j.bmc.2010.03.036
BindingDB Entry DOI: 10.7270/Q2DJ5GK5
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
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 31n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...


Bioorg Med Chem 15: 174-85 (2006)


Article DOI: 10.1016/j.bmc.2006.09.072
BindingDB Entry DOI: 10.7270/Q2PC336P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
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 31n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50331871
PNG
(5-[3-(3-Chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2...)
Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1)c1cncc(c1)S(N)(=O)=O
Show InChI InChI=1S/C17H14ClN5O3S2/c1-17(2)15(24)22(11-4-3-10(7-19)14(18)6-11)16(27)23(17)12-5-13(9-21-8-12)28(20,25)26/h3-6,8-9H,1-2H3,(H2,20,25,26)
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n/an/a 50n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at AR in human bicalutamide-resistant LNCAP cells assessed as inhibition of cell proliferation after 6 days


Bioorg Med Chem 18: 8150-7 (2010)


Article DOI: 10.1016/j.bmc.2010.10.023
BindingDB Entry DOI: 10.7270/Q29S1S1P
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50317660
PNG
(3-[3-(4-Cyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2...)
Show SMILES Cc1cc(ccc1C#N)N1C(=S)N(CCCS(N)(=O)=O)C(C)(C)C1=O
Show InChI InChI=1S/C16H20N4O3S2/c1-11-9-13(6-5-12(11)10-17)20-14(21)16(2,3)19(15(20)24)7-4-8-25(18,22)23/h5-6,9H,4,7-8H2,1-3H3,(H2,18,22,23)
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n/an/a 51n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at AR in bicalutamide-resistant human LNCAP cells assessed as effect on cell proliferation after 6 days


Bioorg Med Chem 18: 3159-68 (2010)


Article DOI: 10.1016/j.bmc.2010.03.036
BindingDB Entry DOI: 10.7270/Q2DJ5GK5
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50317652
PNG
(4-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...)
Show SMILES CC1(C)N(CCCC(N)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H17F3N4O2S/c1-16(2)14(26)24(15(27)23(16)7-3-4-13(22)25)11-6-5-10(9-21)12(8-11)17(18,19)20/h5-6,8H,3-4,7H2,1-2H3,(H2,22,25)
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n/an/a 55n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at AR in bicalutamide-resistant human LNCAP cells assessed as effect on cell proliferation after 6 days


Bioorg Med Chem 18: 3159-68 (2010)


Article DOI: 10.1016/j.bmc.2010.03.036
BindingDB Entry DOI: 10.7270/Q2DJ5GK5
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50317658
PNG
(2-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...)
Show SMILES CC1(C)N(CCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H15F3N4O3S2/c1-14(2)12(23)22(13(26)21(14)5-6-27(20,24)25)10-4-3-9(8-19)11(7-10)15(16,17)18/h3-4,7H,5-6H2,1-2H3,(H2,20,24,25)
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n/an/a 79n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at AR in bicalutamide-resistant human LNCAP cells assessed as effect on cell proliferation after 6 days


Bioorg Med Chem 18: 3159-68 (2010)


Article DOI: 10.1016/j.bmc.2010.03.036
BindingDB Entry DOI: 10.7270/Q2DJ5GK5
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50331870
PNG
(4-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...)
Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccnc(c1)S(N)(=O)=O
Show InChI InChI=1S/C18H14F3N5O3S2/c1-17(2)15(27)25(11-4-3-10(9-22)13(7-11)18(19,20)21)16(30)26(17)12-5-6-24-14(8-12)31(23,28)29/h3-8H,1-2H3,(H2,23,28,29)
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n/an/a 80n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at AR in human bicalutamide-resistant LNCAP cells assessed as inhibition of cell proliferation after 6 days


Bioorg Med Chem 18: 8150-7 (2010)


Article DOI: 10.1016/j.bmc.2010.10.023
BindingDB Entry DOI: 10.7270/Q29S1S1P
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50317657
PNG
(3-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...)
Show SMILES CN(C)S(=O)(=O)CCCN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H21F3N4O3S2/c1-17(2)15(26)25(13-7-6-12(11-22)14(10-13)18(19,20)21)16(29)24(17)8-5-9-30(27,28)23(3)4/h6-7,10H,5,8-9H2,1-4H3
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n/an/a 80n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human AR expressed in CHO-K1 cells after 2 hrs by scintillation counting


Bioorg Med Chem 18: 3159-68 (2010)


Article DOI: 10.1016/j.bmc.2010.03.036
BindingDB Entry DOI: 10.7270/Q2DJ5GK5
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50317654
PNG
(3-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...)
Show SMILES CC1(C)N(CCCNS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H18F3N5O3S2/c1-15(2)13(25)24(14(28)23(15)7-3-6-22-29(21,26)27)11-5-4-10(9-20)12(8-11)16(17,18)19/h4-5,8,22H,3,6-7H2,1-2H3,(H2,21,26,27)
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n/an/a 89n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at AR in bicalutamide-resistant human LNCAP cells assessed as effect on cell proliferation after 6 days


Bioorg Med Chem 18: 3159-68 (2010)


Article DOI: 10.1016/j.bmc.2010.03.036
BindingDB Entry DOI: 10.7270/Q2DJ5GK5
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50220941
PNG
(5-(4-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4ccc(OCCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C35H50O5/c1-33-18-15-27(36)23-26(33)22-25(32-29(33)16-19-34(2)30(32)17-20-35(34,3)39)9-5-4-8-24-11-13-28(14-12-24)40-21-7-6-10-31(37)38/h11-14,23,25,29-30,32,39H,4-10,15-22H2,1-3H3,(H,37,38)/t25-,29+,30+,32-,33+,34+,35+/m1/s1
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n/an/a 96n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50331865
PNG
(4-(3-Phenyl-4,4-dimethyl-5-oxo-2-thioxoimidazolidi...)
Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C19H14F3N3OS/c1-18(2)16(26)24(17(27)25(18)13-6-4-3-5-7-13)14-9-8-12(11-23)15(10-14)19(20,21)22/h3-10H,1-2H3
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n/an/a 100n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at AR in human bicalutamide-resistant LNCAP cells assessed as inhibition of cell proliferation after 6 days


Bioorg Med Chem 18: 8150-7 (2010)


Article DOI: 10.1016/j.bmc.2010.10.023
BindingDB Entry DOI: 10.7270/Q29S1S1P
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50331866
PNG
(3-[3-(3-Chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2...)
Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1)c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C18H15ClN4O3S2/c1-18(2)16(24)22(12-7-6-11(10-20)15(19)9-12)17(27)23(18)13-4-3-5-14(8-13)28(21,25)26/h3-9H,1-2H3,(H2,21,25,26)
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n/an/a 100n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at AR in human bicalutamide-resistant LNCAP cells assessed as inhibition of cell proliferation after 6 days


Bioorg Med Chem 18: 8150-7 (2010)


Article DOI: 10.1016/j.bmc.2010.10.023
BindingDB Entry DOI: 10.7270/Q29S1S1P
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50331867
PNG
(3-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...)
Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C19H15F3N4O3S2/c1-18(2)16(27)25(12-7-6-11(10-23)15(9-12)19(20,21)22)17(30)26(18)13-4-3-5-14(8-13)31(24,28)29/h3-9H,1-2H3,(H2,24,28,29)
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n/an/a 100n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at AR in human bicalutamide-resistant LNCAP cells assessed as inhibition of cell proliferation after 6 days


Bioorg Med Chem 18: 8150-7 (2010)


Article DOI: 10.1016/j.bmc.2010.10.023
BindingDB Entry DOI: 10.7270/Q29S1S1P
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50331868
PNG
(6-[3-(3-Chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2...)
Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1)c1cccc(n1)S(N)(=O)=O
Show InChI InChI=1S/C17H14ClN5O3S2/c1-17(2)15(24)22(11-7-6-10(9-19)12(18)8-11)16(27)23(17)13-4-3-5-14(21-13)28(20,25)26/h3-8H,1-2H3,(H2,20,25,26)
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n/an/a 100n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at AR in human bicalutamide-resistant LNCAP cells assessed as inhibition of cell proliferation after 6 days


Bioorg Med Chem 18: 8150-7 (2010)


Article DOI: 10.1016/j.bmc.2010.10.023
BindingDB Entry DOI: 10.7270/Q29S1S1P
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50331869
PNG
(6-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...)
Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1cccc(n1)S(N)(=O)=O
Show InChI InChI=1S/C18H14F3N5O3S2/c1-17(2)15(27)25(11-7-6-10(9-22)12(8-11)18(19,20)21)16(30)26(17)13-4-3-5-14(24-13)31(23,28)29/h3-8H,1-2H3,(H2,23,28,29)
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n/an/a 100n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at AR in human bicalutamide-resistant LNCAP cells assessed as inhibition of cell proliferation after 6 days


Bioorg Med Chem 18: 8150-7 (2010)


Article DOI: 10.1016/j.bmc.2010.10.023
BindingDB Entry DOI: 10.7270/Q29S1S1P
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50317659
PNG
(4-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...)
Show SMILES CC1(C)N(CCCCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H19F3N4O3S2/c1-16(2)14(25)24(15(28)23(16)7-3-4-8-29(22,26)27)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9H,3-4,7-8H2,1-2H3,(H2,22,26,27)
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n/an/a 110n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at AR in bicalutamide-resistant human LNCAP cells assessed as effect on cell proliferation after 6 days


Bioorg Med Chem 18: 3159-68 (2010)


Article DOI: 10.1016/j.bmc.2010.03.036
BindingDB Entry DOI: 10.7270/Q2DJ5GK5
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50197358
PNG
(17b-hydroxy-7a-{9-(4,4,5,5,5-pentafluoropentylsulf...)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC1CC(=O)CC[C@]31C
Show InChI InChI=1S/C33H53F5O3S/c1-30-17-14-25(39)22-24(30)21-23(29-26-12-13-28(40)31(26,2)18-15-27(29)30)11-8-6-4-3-5-7-9-19-42(41)20-10-16-32(34,35)33(36,37)38/h23-24,26-29,40H,3-22H2,1-2H3/t23-,24?,26+,27+,28+,29+,30+,31+,42?/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor expressed in CHOK1 cells


Bioorg Med Chem 15: 174-85 (2006)


Article DOI: 10.1016/j.bmc.2006.09.072
BindingDB Entry DOI: 10.7270/Q2PC336P
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50197366
PNG
(CHEMBL225147 | N,N-dimethyl-7-(17b-hydroxy-5a-andr...)
Show SMILES CN(C)C(=O)CCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
Show InChI InChI=1S/C28H47NO3/c1-27-15-13-21(30)18-20(27)17-19(9-7-5-6-8-10-25(32)29(3)4)26-22-11-12-24(31)28(22,2)16-14-23(26)27/h19-20,22-24,26,31H,5-18H2,1-4H3/t19?,20-,22-,23-,24-,26-,27-,28-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor expressed in CHOK1 cells


Bioorg Med Chem 15: 174-85 (2006)


Article DOI: 10.1016/j.bmc.2006.09.072
BindingDB Entry DOI: 10.7270/Q2PC336P
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50197376
PNG
(CHEMBL224352 | N,N-diethyl-8-(17b-hydroxy-5a-andro...)
Show SMILES CCN(CC)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
Show InChI InChI=1S/C31H53NO3/c1-5-32(6-2)28(35)13-11-9-7-8-10-12-22-20-23-21-24(33)16-18-30(23,3)26-17-19-31(4)25(29(22)26)14-15-27(31)34/h22-23,25-27,29,34H,5-21H2,1-4H3/t22?,23-,25-,26-,27-,29-,30-,31-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor expressed in CHOK1 cells


Bioorg Med Chem 15: 174-85 (2006)


Article DOI: 10.1016/j.bmc.2006.09.072
BindingDB Entry DOI: 10.7270/Q2PC336P
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50220939
PNG
(6-(3-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4cccc(OCCCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C36H52O5/c1-34-18-15-28(37)24-27(34)23-26(33-30(34)16-19-35(2)31(33)17-20-36(35,3)40)12-7-6-10-25-11-9-13-29(22-25)41-21-8-4-5-14-32(38)39/h9,11,13,22,24,26,30-31,33,40H,4-8,10,12,14-21,23H2,1-3H3,(H,38,39)/t26-,30+,31+,33-,34+,35+,36+/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50197387
PNG
(8-(17b-hydroxy-5a-androstan-3-one-7a-yl)-1-(piperi...)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C(CCCCCCCC(=O)N1CCCCC1)C[C@H]1CC(=O)CC[C@]31C
Show InChI InChI=1S/C32H53NO3/c1-31-17-15-25(34)22-24(31)21-23(30-26-13-14-28(35)32(26,2)18-16-27(30)31)11-7-4-3-5-8-12-29(36)33-19-9-6-10-20-33/h23-24,26-28,30,35H,3-22H2,1-2H3/t23?,24-,26-,27-,28-,30-,31-,32-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor expressed in CHOK1 cells


Bioorg Med Chem 15: 174-85 (2006)


Article DOI: 10.1016/j.bmc.2006.09.072
BindingDB Entry DOI: 10.7270/Q2PC336P
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 140n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...


Bioorg Med Chem 15: 174-85 (2006)


Article DOI: 10.1016/j.bmc.2006.09.072
BindingDB Entry DOI: 10.7270/Q2PC336P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 140n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50317655
PNG
(3-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...)
Show SMILES CC1(C)N(CCCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H17F3N4O3S2/c1-15(2)13(24)23(14(27)22(15)6-3-7-28(21,25)26)11-5-4-10(9-20)12(8-11)16(17,18)19/h4-5,8H,3,6-7H2,1-2H3,(H2,21,25,26)
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n/an/a 160n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at AR in human LNCAP cells assessed as effect on cell proliferation after 6 days


Bioorg Med Chem 18: 3159-68 (2010)


Article DOI: 10.1016/j.bmc.2010.03.036
BindingDB Entry DOI: 10.7270/Q2DJ5GK5
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50220934
PNG
(3-(4-(3-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4ccc(OCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C32H44O5/c1-30-15-11-24(33)20-23(30)19-22(29-26(30)12-16-31(2)27(29)13-17-32(31,3)36)6-4-5-21-7-9-25(10-8-21)37-18-14-28(34)35/h7-10,20,22,26-27,29,36H,4-6,11-19H2,1-3H3,(H,34,35)/t22-,26+,27+,29-,30+,31+,32+/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50317656
PNG
(3-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...)
Show SMILES CNS(=O)(=O)CCCN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H19F3N4O3S2/c1-16(2)14(25)24(15(28)23(16)7-4-8-29(26,27)22-3)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,22H,4,7-8H2,1-3H3
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n/an/a 170n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human AR expressed in CHO-K1 cells after 2 hrs by scintillation counting


Bioorg Med Chem 18: 3159-68 (2010)


Article DOI: 10.1016/j.bmc.2010.03.036
BindingDB Entry DOI: 10.7270/Q2DJ5GK5
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50197363
PNG
(CHEMBL389277 | N,N-dimethyl-8-(17b-hydroxy-5a-andr...)
Show SMILES CN(C)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
Show InChI InChI=1S/C29H49NO3/c1-28-16-14-22(31)19-21(28)18-20(10-8-6-5-7-9-11-26(33)30(3)4)27-23-12-13-25(32)29(23,2)17-15-24(27)28/h20-21,23-25,27,32H,5-19H2,1-4H3/t20?,21-,23-,24-,25-,27-,28-,29-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...


Bioorg Med Chem 15: 174-85 (2006)


Article DOI: 10.1016/j.bmc.2006.09.072
BindingDB Entry DOI: 10.7270/Q2PC336P
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50220937
PNG
(8-((5S,7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-...)
Show SMILES CN(C)C(=O)CCCCCCC[C@@H]1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
Show InChI InChI=1S/C29H49NO3/c1-28-16-14-22(31)19-21(28)18-20(10-8-6-5-7-9-11-26(33)30(3)4)27-23-12-13-25(32)29(23,2)17-15-24(27)28/h20-21,23-25,27,32H,5-19H2,1-4H3/t20-,21+,23+,24+,25+,27+,28+,29+/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50317656
PNG
(3-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...)
Show SMILES CNS(=O)(=O)CCCN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H19F3N4O3S2/c1-16(2)14(25)24(15(28)23(16)7-4-8-29(26,27)22-3)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,22H,4,7-8H2,1-3H3
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n/an/a 190n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at AR in human LNCAP cells assessed as effect on cell proliferation after 6 days


Bioorg Med Chem 18: 3159-68 (2010)


Article DOI: 10.1016/j.bmc.2010.03.036
BindingDB Entry DOI: 10.7270/Q2DJ5GK5
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50331865
PNG
(4-(3-Phenyl-4,4-dimethyl-5-oxo-2-thioxoimidazolidi...)
Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C19H14F3N3OS/c1-18(2)16(26)24(17(27)25(18)13-6-4-3-5-7-13)14-9-8-12(11-23)15(10-14)19(20,21)22/h3-10H,1-2H3
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n/an/a 200n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human AR expressed in human HeLa cells co-transfected with MMTV-Luc-Hyg after 48 hrs by transient-luciferase reporter gene ass...


Bioorg Med Chem 18: 8150-7 (2010)


Article DOI: 10.1016/j.bmc.2010.10.023
BindingDB Entry DOI: 10.7270/Q29S1S1P
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 200n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human AR expressed in human HeLa cells co-transfected with MMTV-Luc-Hyg after 48 hrs by transient-luciferase reporter gene ass...


Bioorg Med Chem 18: 8150-7 (2010)


Article DOI: 10.1016/j.bmc.2010.10.023
BindingDB Entry DOI: 10.7270/Q29S1S1P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50197366
PNG
(CHEMBL225147 | N,N-dimethyl-7-(17b-hydroxy-5a-andr...)
Show SMILES CN(C)C(=O)CCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
Show InChI InChI=1S/C28H47NO3/c1-27-15-13-21(30)18-20(27)17-19(9-7-5-6-8-10-25(32)29(3)4)26-22-11-12-24(31)28(22,2)16-14-23(26)27/h19-20,22-24,26,31H,5-18H2,1-4H3/t19?,20-,22-,23-,24-,26-,27-,28-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...


Bioorg Med Chem 15: 174-85 (2006)


Article DOI: 10.1016/j.bmc.2006.09.072
BindingDB Entry DOI: 10.7270/Q2PC336P
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50317662
PNG
(3-[3-(3-Chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2...)
Show SMILES CC1(C)N(CCCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C15H17ClN4O3S2/c1-15(2)13(21)20(11-5-4-10(9-17)12(16)8-11)14(24)19(15)6-3-7-25(18,22)23/h4-5,8H,3,6-7H2,1-2H3,(H2,18,22,23)
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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human AR expressed in human HeLa cells co-transfected with MMTV-Luc-Hyg after 48 hrs by transient-luciferase reporter gene ass...


Bioorg Med Chem 18: 8150-7 (2010)


Article DOI: 10.1016/j.bmc.2010.10.023
BindingDB Entry DOI: 10.7270/Q29S1S1P
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 200n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human AR expressed in CHO-K1 cells after 2 hrs by scintillation counting


Bioorg Med Chem 18: 3159-68 (2010)


Article DOI: 10.1016/j.bmc.2010.03.036
BindingDB Entry DOI: 10.7270/Q2DJ5GK5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50317653
PNG
(3-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...)
Show SMILES CC1(C)N(CCCNC(N)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H18F3N5O2S/c1-16(2)13(26)25(15(28)24(16)7-3-6-23-14(22)27)11-5-4-10(9-21)12(8-11)17(18,19)20/h4-5,8H,3,6-7H2,1-2H3,(H3,22,23,27)
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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at AR in bicalutamide-resistant human LNCAP cells assessed as effect on cell proliferation after 6 days


Bioorg Med Chem 18: 3159-68 (2010)


Article DOI: 10.1016/j.bmc.2010.03.036
BindingDB Entry DOI: 10.7270/Q2DJ5GK5
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
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 200n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 200n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
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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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor expressed in CHOK1 cells


Bioorg Med Chem 15: 174-85 (2006)


Article DOI: 10.1016/j.bmc.2006.09.072
BindingDB Entry DOI: 10.7270/Q2PC336P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor expressed in CHOK1 cells


Bioorg Med Chem 15: 174-85 (2006)


Article DOI: 10.1016/j.bmc.2006.09.072
BindingDB Entry DOI: 10.7270/Q2PC336P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50220941
PNG
(5-(4-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4ccc(OCCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C35H50O5/c1-33-18-15-27(36)23-26(33)22-25(32-29(33)16-19-34(2)30(32)17-20-35(34,3)39)9-5-4-8-24-11-13-28(14-12-24)40-21-7-6-10-31(37)38/h11-14,23,25,29-30,32,39H,4-10,15-22H2,1-3H3,(H,37,38)/t25-,29+,30+,32-,33+,34+,35+/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50220937
PNG
(8-((5S,7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-...)
Show SMILES CN(C)C(=O)CCCCCCC[C@@H]1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
Show InChI InChI=1S/C29H49NO3/c1-28-16-14-22(31)19-21(28)18-20(10-8-6-5-7-9-11-26(33)30(3)4)27-23-12-13-25(32)29(23,2)17-15-24(27)28/h20-21,23-25,27,32H,5-19H2,1-4H3/t20-,21+,23+,24+,25+,27+,28+,29+/m1/s1
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n/an/a 260n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50197381
PNG
(8-(17b-hydroxy-5a-androstan-3-one-7a-yl)octanamide...)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C(CCCCCCCC(N)=O)C[C@H]1CC(=O)CC[C@]31C
Show InChI InChI=1S/C27H45NO3/c1-26-14-12-20(29)17-19(26)16-18(8-6-4-3-5-7-9-24(28)31)25-21-10-11-23(30)27(21,2)15-13-22(25)26/h18-19,21-23,25,30H,3-17H2,1-2H3,(H2,28,31)/t18?,19-,21-,22-,23-,25-,26-,27-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor expressed in CHOK1 cells


Bioorg Med Chem 15: 174-85 (2006)


Article DOI: 10.1016/j.bmc.2006.09.072
BindingDB Entry DOI: 10.7270/Q2PC336P
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50197363
PNG
(CHEMBL389277 | N,N-dimethyl-8-(17b-hydroxy-5a-andr...)
Show SMILES CN(C)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
Show InChI InChI=1S/C29H49NO3/c1-28-16-14-22(31)19-21(28)18-20(10-8-6-5-7-9-11-26(33)30(3)4)27-23-12-13-25(32)29(23,2)17-15-24(27)28/h20-21,23-25,27,32H,5-19H2,1-4H3/t20?,21-,23-,24-,25-,27-,28-,29-/m0/s1
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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor expressed in CHOK1 cells


Bioorg Med Chem 15: 174-85 (2006)


Article DOI: 10.1016/j.bmc.2006.09.072
BindingDB Entry DOI: 10.7270/Q2PC336P
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50317663
PNG
(3-[3-(4-Cyano-2-methyl-3-trifluoromethylphenyl)-5,...)
Show SMILES Cc1c(ccc(C#N)c1C(F)(F)F)N1C(=S)N(CCCS(N)(=O)=O)C(C)(C)C1=O
Show InChI InChI=1S/C17H19F3N4O3S2/c1-10-12(6-5-11(9-21)13(10)17(18,19)20)24-14(25)16(2,3)23(15(24)28)7-4-8-29(22,26)27/h5-6H,4,7-8H2,1-3H3,(H2,22,26,27)
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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human AR expressed in CHO-K1 cells after 2 hrs by scintillation counting


Bioorg Med Chem 18: 3159-68 (2010)


Article DOI: 10.1016/j.bmc.2010.03.036
BindingDB Entry DOI: 10.7270/Q2DJ5GK5
More data for this
Ligand-Target Pair
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