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Compile Data Set for Download or QSAR

Found 813 hits with Last Name = 'miyachi' and Initial = 'h'   
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))
BDBM50252332
PNG
(4-[(Benzyl)(4-nitrophenyl)amino]-1-methylpyrrole-2...)
Show SMILES Cn1cc(cc1C(O)=O)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H17N3O4/c1-20-13-17(11-18(20)19(23)24)21(12-14-5-3-2-4-6-14)15-7-9-16(10-8-15)22(25)26/h2-11,13H,12H2,1H3,(H,23,24)
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75n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252385
PNG
(CHEMBL481139 | N,N-Diethyl 4-[(4-nitrophenyl)(benz...)
Show SMILES CCN(CC)C(=O)c1cc(cn1C)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H26N4O3/c1-4-25(5-2)23(28)22-15-21(17-24(22)3)26(16-18-9-7-6-8-10-18)19-11-13-20(14-12-19)27(29)30/h6-15,17H,4-5,16H2,1-3H3
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100n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252176
PNG
(CHEMBL518945 | N-[4-[(Benzyl)(4-nitrophenyl)amino]...)
Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H24N4O3/c1-24-17-21(15-22(24)23(28)25-13-5-6-14-25)26(16-18-7-3-2-4-8-18)19-9-11-20(12-10-19)27(29)30/h2-4,7-12,15,17H,5-6,13-14,16H2,1H3
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110n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252387
PNG
(CHEMBL520428 | N-[4-[(Benzyl)(4-nitrophenyl)amino]...)
Show SMILES Cn1cc(cc1C(=O)N1CCCCC1)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H26N4O3/c1-25-18-22(16-23(25)24(29)26-14-6-3-7-15-26)27(17-19-8-4-2-5-9-19)20-10-12-21(13-11-20)28(30)31/h2,4-5,8-13,16,18H,3,6-7,14-15,17H2,1H3
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110n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252276
PNG
(CHEMBL480955 | N-{4-[(Benzyl)(4-cyanophenyl)amino]...)
Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24N4O/c1-26-18-22(15-23(26)24(29)27-13-5-6-14-27)28(17-20-7-3-2-4-8-20)21-11-9-19(16-25)10-12-21/h2-4,7-12,15,18H,5-6,13-14,17H2,1H3
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130n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252328
PNG
(CHEMBL479988 | N-{4-[(4-Acetylphenyl)(benzyl)amino...)
Show SMILES CC(=O)c1ccc(cc1)N(Cc1ccccc1)c1cc(C(=O)N2CCCC2)n(C)c1
Show InChI InChI=1S/C25H27N3O2/c1-19(29)21-10-12-22(13-11-21)28(17-20-8-4-3-5-9-20)23-16-24(26(2)18-23)25(30)27-14-6-7-15-27/h3-5,8-13,16,18H,6-7,14-15,17H2,1-2H3
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140n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252331
PNG
(4-[(Benzyl)(4-nitrophenyl)amino]-2-hydroxymethyl-1...)
Show SMILES Cn1cc(cc1CO)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H19N3O3/c1-20-13-18(11-19(20)14-23)21(12-15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(24)25/h2-11,13,23H,12,14H2,1H3
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170n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252329
PNG
(CHEMBL480959 | N-{4-[(Benzyl)(4-methoxycarbonylphe...)
Show SMILES COC(=O)c1ccc(cc1)N(Cc1ccccc1)c1cc(C(=O)N2CCCC2)n(C)c1
Show InChI InChI=1S/C25H27N3O3/c1-26-18-22(16-23(26)24(29)27-14-6-7-15-27)28(17-19-8-4-3-5-9-19)21-12-10-20(11-13-21)25(30)31-2/h3-5,8-13,16,18H,6-7,14-15,17H2,1-2H3
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180n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252330
PNG
(CHEMBL521251 | Ethyl 4-[(benzyl)(4-nitrophenyl)ami...)
Show SMILES CCOC(=O)c1cc(cn1C)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H21N3O4/c1-3-28-21(25)20-13-19(15-22(20)2)23(14-16-7-5-4-6-8-16)17-9-11-18(12-10-17)24(26)27/h4-13,15H,3,14H2,1-2H3
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180n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252384
PNG
(4-[(Benzyl)(4-nitrophenyl)amino]-1-methylpyrrole-2...)
Show SMILES Cn1cc(cc1C(N)=O)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H18N4O3/c1-21-13-17(11-18(21)19(20)24)22(12-14-5-3-2-4-6-14)15-7-9-16(10-8-15)23(25)26/h2-11,13H,12H2,1H3,(H2,20,24)
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220n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252277
PNG
(CHEMBL521249 | N-{4-[(Benzyl)(4-trifluoromethylphe...)
Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O/c1-28-17-21(15-22(28)23(31)29-13-5-6-14-29)30(16-18-7-3-2-4-8-18)20-11-9-19(10-12-20)24(25,26)27/h2-4,7-12,15,17H,5-6,13-14,16H2,1H3
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270n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252450
PNG
(CHEMBL482063 | N-[4-[(Benzyl)(4-nitrophenyl)amino]...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N(Cc1ccccc1)c1ccc(cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C24H23N3O3/c28-24(25-16-4-5-17-25)20-8-10-21(11-9-20)26(18-19-6-2-1-3-7-19)22-12-14-23(15-13-22)27(29)30/h1-3,6-15H,4-5,16-18H2
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340n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252124
PNG
(CHEMBL481514 | N-[4-[(Benzyl)(3,5-dimethylphenyl)a...)
Show SMILES Cc1cc(C)cc(c1)N(Cc1ccccc1)c1cc(C(=O)N2CCCC2)n(C)c1
Show InChI InChI=1S/C25H29N3O/c1-19-13-20(2)15-22(14-19)28(17-21-9-5-4-6-10-21)23-16-24(26(3)18-23)25(29)27-11-7-8-12-27/h4-6,9-10,13-16,18H,7-8,11-12,17H2,1-3H3
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350n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252451
PNG
(CHEMBL482064 | N-[3-[(Benzyl)(4-nitrophenyl)amino]...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N(Cc1ccccc1)c1cccc(c1)C(=O)N1CCCC1
Show InChI InChI=1S/C24H23N3O3/c28-24(25-15-4-5-16-25)20-9-6-10-23(17-20)26(18-19-7-2-1-3-8-19)21-11-13-22(14-12-21)27(29)30/h1-3,6-14,17H,4-5,15-16,18H2
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370n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
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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430n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50252123
PNG
(CHEMBL519450 | N-[4-[(Cyclohexylmethyl)(3,5-dimeth...)
Show SMILES Cc1cc(C)cc(c1)N(CC1CCCCC1)c1cc(C(=O)N2CCCC2)n(C)c1
Show InChI InChI=1S/C25H35N3O/c1-19-13-20(2)15-22(14-19)28(17-21-9-5-4-6-10-21)23-16-24(26(3)18-23)25(29)27-11-7-8-12-27/h13-16,18,21H,4-12,17H2,1-3H3
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490n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252175
PNG
(CHEMBL519780 | N-[4-[(Cyclohexylmethyl)(4-nitrophe...)
Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(CC1CCCCC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H30N4O3/c1-24-17-21(15-22(24)23(28)25-13-5-6-14-25)26(16-18-7-3-2-4-8-18)19-9-11-20(12-10-19)27(29)30/h9-12,15,17-18H,2-8,13-14,16H2,1H3
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520n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252125
PNG
(CHEMBL481515 | N-[4-[(3,5-Dimethylphenyl)(4-hydrox...)
Show SMILES Cc1cc(C)cc(c1)N(Cc1ccc(O)cc1)c1cc(C(=O)N2CCCC2)n(C)c1
Show InChI InChI=1S/C25H29N3O2/c1-18-12-19(2)14-21(13-18)28(16-20-6-8-23(29)9-7-20)22-15-24(26(3)17-22)25(30)27-10-4-5-11-27/h6-9,12-15,17,29H,4-5,10-11,16H2,1-3H3
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690n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252216
PNG
(CHEMBL480934 | N-[4-[(4-Hydroxybenzyl)(4-nitrophen...)
Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccc(O)cc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H24N4O4/c1-24-16-20(14-22(24)23(29)25-12-2-3-13-25)26(15-17-4-10-21(28)11-5-17)18-6-8-19(9-7-18)27(30)31/h4-11,14,16,28H,2-3,12-13,15H2,1H3
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730n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252177
PNG
(CHEMBL481107 | N-[4-[(4-Fluorobenzyl)(4-nitropheny...)
Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccc(F)cc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H23FN4O3/c1-25-16-21(14-22(25)23(29)26-12-2-3-13-26)27(15-17-4-6-18(24)7-5-17)19-8-10-20(11-9-19)28(30)31/h4-11,14,16H,2-3,12-13,15H2,1H3
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800n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252215
PNG
(CHEMBL481939 | N-[4-[(4-Methylbenzyl)(4-nitropheny...)
Show SMILES Cc1ccc(CN(c2cc(C(=O)N3CCCC3)n(C)c2)c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C24H26N4O3/c1-18-5-7-19(8-6-18)16-27(20-9-11-21(12-10-20)28(30)31)22-15-23(25(2)17-22)24(29)26-13-3-4-14-26/h5-12,15,17H,3-4,13-14,16H2,1-2H3
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810n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
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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1.17E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by incubation with GST-hARLBD and [3H]-testosterone


Bioorg Med Chem Lett 15: 4327-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.044
BindingDB Entry DOI: 10.7270/Q2SX6CS6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252274
PNG
(CHEMBL520603 | N-[4-[(Benzyl)(2-nitrophenyl)amino]...)
Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C23H24N4O3/c1-24-17-19(15-22(24)23(28)25-13-7-8-14-25)26(16-18-9-3-2-4-10-18)20-11-5-6-12-21(20)27(29)30/h2-6,9-12,15,17H,7-8,13-14,16H2,1H3
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1.30E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50253371
PNG
(CHEMBL522172 | N4-Isobutyl-6-(2-naphthalen-1-yl-et...)
Show SMILES CC(C)CNc1cc(CCc2cccc3ccccc23)nc(NCc2cccc3ccccc23)n1
Show InChI InChI=1S/C31H32N4/c1-22(2)20-32-30-19-27(18-17-25-13-7-11-23-9-3-5-15-28(23)25)34-31(35-30)33-21-26-14-8-12-24-10-4-6-16-29(24)26/h3-16,19,22H,17-18,20-21H2,1-2H3,(H2,32,33,34,35)
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1.50E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of AR


Bioorg Med Chem Lett 20: 1712-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.079
BindingDB Entry DOI: 10.7270/Q2TM7B76
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
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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1.51E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by incubation with GST-hARLBD and [3H]-testosterone


Bioorg Med Chem Lett 15: 4327-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.044
BindingDB Entry DOI: 10.7270/Q2SX6CS6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252218
PNG
(CHEMBL481746 | N-[4-[(4-Hydroxymethylbenzyl)(4-nit...)
Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccc(CO)cc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H26N4O4/c1-25-16-22(14-23(25)24(30)26-12-2-3-13-26)27(15-18-4-6-19(17-29)7-5-18)20-8-10-21(11-9-20)28(31)32/h4-11,14,16,29H,2-3,12-13,15,17H2,1H3
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1.80E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252173
PNG
(CHEMBL481355 | N-[4-[(Ethyl)(4-nitrophenyl)amino]-...)
Show SMILES CCN(c1cc(C(=O)N2CCCC2)n(C)c1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H22N4O3/c1-3-21(14-6-8-15(9-7-14)22(24)25)16-12-17(19(2)13-16)18(23)20-10-4-5-11-20/h6-9,12-13H,3-5,10-11H2,1-2H3
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2.00E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252126
PNG
(CHEMBL481686 | N-[4-[(3,5-Dimethylphenyl)(4-hydrox...)
Show SMILES Cc1cc(C)cc(c1)N(Cc1ccc(CO)cc1)c1cc(C(=O)N2CCCC2)n(C)c1
Show InChI InChI=1S/C26H31N3O2/c1-19-12-20(2)14-23(13-19)29(16-21-6-8-22(18-30)9-7-21)24-15-25(27(3)17-24)26(31)28-10-4-5-11-28/h6-9,12-15,17,30H,4-5,10-11,16,18H2,1-3H3
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2.20E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252079
PNG
(CHEMBL481152 | N-[4-[(3,5-Dimethylphenyl)(ethyl)am...)
Show SMILES CCN(c1cc(C(=O)N2CCCC2)n(C)c1)c1cc(C)cc(C)c1
Show InChI InChI=1S/C20H27N3O/c1-5-23(17-11-15(2)10-16(3)12-17)18-13-19(21(4)14-18)20(24)22-8-6-7-9-22/h10-14H,5-9H2,1-4H3
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2.70E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252080
PNG
(CHEMBL516752 | N-[4-[(3,5-Dimethylphenyl)(iso-prop...)
Show SMILES CC(C)N(c1cc(C(=O)N2CCCC2)n(C)c1)c1cc(C)cc(C)c1
Show InChI InChI=1S/C21H29N3O/c1-15(2)24(18-11-16(3)10-17(4)12-18)19-13-20(22(5)14-19)21(25)23-8-6-7-9-23/h10-15H,6-9H2,1-5H3
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2.70E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
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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2.90E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by incubation with GST-hARLBD and [3H]-testosterone


Bioorg Med Chem Lett 15: 4327-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.044
BindingDB Entry DOI: 10.7270/Q2SX6CS6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252076
PNG
((4-(3,5-dimethylphenylamino)-1-methyl-1H-pyrrol-2-...)
Show SMILES Cc1cc(C)cc(Nc2cc(C(=O)N3CCCC3)n(C)c2)c1
Show InChI InChI=1S/C18H23N3O/c1-13-8-14(2)10-15(9-13)19-16-11-17(20(3)12-16)18(22)21-6-4-5-7-21/h8-12,19H,4-7H2,1-3H3
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3.10E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50170582
PNG
(4-(4-{1-Ethyl-1-[4-(3-hydroxy-3-methyl-butylamino)...)
Show SMILES CCC(CC)(c1ccc(NCCC(C)(C)O)c(C)c1)c1ccc(NCCC(C)(C)O)c(C)c1
Show InChI InChI=1S/C29H46N2O2/c1-9-29(10-2,23-11-13-25(21(3)19-23)30-17-15-27(5,6)32)24-12-14-26(22(4)20-24)31-18-16-28(7,8)33/h11-14,19-20,30-33H,9-10,15-18H2,1-8H3
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3.38E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by incubation with GST-hARLBD and [3H]-testosterone


Bioorg Med Chem Lett 15: 4327-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.044
BindingDB Entry DOI: 10.7270/Q2SX6CS6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252174
PNG
(CHEMBL481356 | N-[4-[(4-Nitrophenyl)(iso-propyl)am...)
Show SMILES CC(C)N(c1cc(C(=O)N2CCCC2)n(C)c1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H24N4O3/c1-14(2)22(15-6-8-16(9-7-15)23(25)26)17-12-18(20(3)13-17)19(24)21-10-4-5-11-21/h6-9,12-14H,4-5,10-11H2,1-3H3
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3.40E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252127
PNG
(CHEMBL481350 | N-[4-[(Methyl)(4-nitrophenyl)amino]...)
Show SMILES CN(c1cc(C(=O)N2CCCC2)n(C)c1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H20N4O3/c1-18-12-15(11-16(18)17(22)20-9-3-4-10-20)19(2)13-5-7-14(8-6-13)21(23)24/h5-8,11-12H,3-4,9-10H2,1-2H3
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3.60E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18678
PNG
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
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)/t17-/m0/s1
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3.70E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50131270
PNG
(2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...)
Show SMILES CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)
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3.70E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50313149
PNG
(6-(2-benzylpyridin-4-yl)-3-hydroxy-5-isobutyl-1-(n...)
Show SMILES CC(C)Cc1cc(O)c(=O)n(Cc2ccc3ccccc3c2)c1-c1ccnc(Cc2ccccc2)c1
Show InChI InChI=1S/C32H30N2O2/c1-22(2)16-28-20-30(35)32(36)34(21-24-12-13-25-10-6-7-11-26(25)17-24)31(28)27-14-15-33-29(19-27)18-23-8-4-3-5-9-23/h3-15,17,19-20,22,35H,16,18,21H2,1-2H3
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4.20E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of ER


Bioorg Med Chem Lett 20: 1712-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.079
BindingDB Entry DOI: 10.7270/Q2TM7B76
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252077
PNG
((1-methyl-4-(4-nitrophenylamino)-1H-pyrrol-2-yl)(p...)
Show SMILES Cn1cc(Nc2ccc(cc2)[N+]([O-])=O)cc1C(=O)N1CCCC1
Show InChI InChI=1S/C16H18N4O3/c1-18-11-13(10-15(18)16(21)19-8-2-3-9-19)17-12-4-6-14(7-5-12)20(22)23/h4-7,10-11,17H,2-3,8-9H2,1H3
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4.90E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252078
PNG
(CHEMBL480183 | N-[4-[(3,5-Dimethylphenyl)(methyl)a...)
Show SMILES CN(c1cc(C(=O)N2CCCC2)n(C)c1)c1cc(C)cc(C)c1
Show InChI InChI=1S/C19H25N3O/c1-14-9-15(2)11-16(10-14)21(4)17-12-18(20(3)13-17)19(23)22-7-5-6-8-22/h9-13H,5-8H2,1-4H3
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6.10E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50313148
PNG
(CHEMBL1087884 | N2,N4,6-triisobutylpyrimidine-2,4-...)
Show SMILES CC(C)CNc1cc(CC(C)C)nc(NCC(C)C)n1
Show InChI InChI=1S/C16H30N4/c1-11(2)7-14-8-15(17-9-12(3)4)20-16(19-14)18-10-13(5)6/h8,11-13H,7,9-10H2,1-6H3,(H2,17,18,19,20)
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2.90E+4n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of ER


Bioorg Med Chem Lett 20: 1712-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.079
BindingDB Entry DOI: 10.7270/Q2TM7B76
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50002087
PNG
(4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccsc2-[#6](=O)-[#6]-c2ccccc-12
Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM94597
PNG
((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccsc2-[#6](=O)-[#6]-c2ccccc-12
Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
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


Bioorg Med Chem Lett 15: 4327-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.044
BindingDB Entry DOI: 10.7270/Q2SX6CS6
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


Bioorg Med Chem Lett 15: 4327-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.044
BindingDB Entry DOI: 10.7270/Q2SX6CS6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50311792
PNG
(4'-butoxy-3'-((2-fluoro-4-(trifluoromethyl)benzami...)
Show SMILES CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C27H25F4NO4/c1-3-4-11-36-24-10-6-17(21-8-5-18(26(34)35)12-16(21)2)13-19(24)15-32-25(33)22-9-7-20(14-23(22)28)27(29,30)31/h5-10,12-14H,3-4,11,15H2,1-2H3,(H,32,33)(H,34,35)
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n/an/a 10n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at PPARgamma cotransfected with GAL4-PPAR fusion protein assessed as inhibition of TIPP703-induced response by luciferase reporte...


Bioorg Med Chem Lett 19: 6595-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.021
BindingDB Entry DOI: 10.7270/Q2736R23
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50311792
PNG
(4'-butoxy-3'-((2-fluoro-4-(trifluoromethyl)benzami...)
Show SMILES CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C27H25F4NO4/c1-3-4-11-36-24-10-6-17(21-8-5-18(26(34)35)12-16(21)2)13-19(24)15-32-25(33)22-9-7-20(14-23(22)28)27(29,30)31/h5-10,12-14H,3-4,11,15H2,1-2H3,(H,32,33)(H,34,35)
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n/an/a 10n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at PPARalpha cotransfected with GAL4-PPAR fusion protein assessed as inhibition of TIPP703-induced response by luciferase reporte...


Bioorg Med Chem Lett 19: 6595-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.021
BindingDB Entry DOI: 10.7270/Q2736R23
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50311792
PNG
(4'-butoxy-3'-((2-fluoro-4-(trifluoromethyl)benzami...)
Show SMILES CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C27H25F4NO4/c1-3-4-11-36-24-10-6-17(21-8-5-18(26(34)35)12-16(21)2)13-19(24)15-32-25(33)22-9-7-20(14-23(22)28)27(29,30)31/h5-10,12-14H,3-4,11,15H2,1-2H3,(H,32,33)(H,34,35)
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n/an/a 10n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at PPARdelta cotransfected with GAL4-PPAR fusion protein assessed as inhibition of GW501516-induced response by luciferase report...


Bioorg Med Chem Lett 19: 6595-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.021
BindingDB Entry DOI: 10.7270/Q2736R23
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 16n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


Bioorg Med Chem Lett 17: 4895-900 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.038
BindingDB Entry DOI: 10.7270/Q2SF2VW0
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


Bioorg Med Chem Lett 15: 4327-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.044
BindingDB Entry DOI: 10.7270/Q2SX6CS6
More data for this
Ligand-Target Pair
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