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PubMed code 23199477

Compile data set for download or QSAR
Found 47 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Androgen Receptor


(Homo sapiens (human))
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 2.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM50428555
PNG
(CHEMBL2337509)
Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C18H16ClFN2O/c1-12-18(23,14-3-5-15(20)6-4-14)8-9-22(12)16-7-2-13(11-21)17(19)10-16/h2-7,10,12,23H,8-9H2,1H3/t12-,18-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428553
PNG
(CHEMBL2337511)
Show SMILES CNC(=O)c1ccc(cc1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C20H20ClN3O2/c1-13-20(26,16-6-3-14(4-7-16)19(25)23-2)9-10-24(13)17-8-5-15(12-22)18(21)11-17/h3-8,11,13,26H,9-10H2,1-2H3,(H,23,25)/t13-,20-/m0/s1
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n/an/a 8.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428548
PNG
(CHEMBL2337516)
Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(nc1)N1CCCC1=O)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C21H21ClN4O2/c1-14-21(28,8-10-25(14)17-6-4-15(12-23)18(22)11-17)16-5-7-19(24-13-16)26-9-2-3-20(26)27/h4-7,11,13-14,28H,2-3,8-10H2,1H3/t14-,21-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428548
PNG
(CHEMBL2337516)
Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(nc1)N1CCCC1=O)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C21H21ClN4O2/c1-14-21(28,8-10-25(14)17-6-4-15(12-23)18(22)11-17)16-5-7-19(24-13-16)26-9-2-3-20(26)27/h4-7,11,13-14,28H,2-3,8-10H2,1H3/t14-,21-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428555
PNG
(CHEMBL2337509)
Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C18H16ClFN2O/c1-12-18(23,14-3-5-15(20)6-4-14)8-9-22(12)16-7-2-13(11-21)17(19)10-16/h2-7,10,12,23H,8-9H2,1H3/t12-,18-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428554
PNG
(CHEMBL2337510)
Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(cc1)C(N)=O)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C19H18ClN3O2/c1-12-19(25,15-5-2-13(3-6-15)18(22)24)8-9-23(12)16-7-4-14(11-21)17(20)10-16/h2-7,10,12,25H,8-9H2,1H3,(H2,22,24)/t12-,19-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428551
PNG
(CHEMBL2337513)
Show SMILES CNC(=O)c1ccc(cn1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C19H19ClN4O2/c1-12-19(26,14-4-6-17(23-11-14)18(25)22-2)7-8-24(12)15-5-3-13(10-21)16(20)9-15/h3-6,9,11-12,26H,7-8H2,1-2H3,(H,22,25)/t12-,19-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428554
PNG
(CHEMBL2337510)
Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(cc1)C(N)=O)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C19H18ClN3O2/c1-12-19(25,15-5-2-13(3-6-15)18(22)24)8-9-23(12)16-7-4-14(11-21)17(20)10-16/h2-7,10,12,25H,8-9H2,1H3,(H2,22,24)/t12-,19-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428553
PNG
(CHEMBL2337511)
Show SMILES CNC(=O)c1ccc(cc1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C20H20ClN3O2/c1-13-20(26,16-6-3-14(4-7-16)19(25)23-2)9-10-24(13)17-8-5-15(12-22)18(21)11-17/h3-8,11,13,26H,9-10H2,1-2H3,(H,23,25)/t13-,20-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428551
PNG
(CHEMBL2337513)
Show SMILES CNC(=O)c1ccc(cn1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C19H19ClN4O2/c1-12-19(26,14-4-6-17(23-11-14)18(25)22-2)7-8-24(12)15-5-3-13(10-21)16(20)9-15/h3-6,9,11-12,26H,7-8H2,1-2H3,(H,22,25)/t12-,19-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
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=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 54n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM50428547
PNG
(CHEMBL2337517)
Show SMILES CNC(=O)c1ccc(cn1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(OC)c1
Show InChI InChI=1S/C20H22N4O3/c1-13-20(26,15-5-7-17(23-12-15)19(25)22-2)8-9-24(13)16-6-4-14(11-21)18(10-16)27-3/h4-7,10,12-13,26H,8-9H2,1-3H3,(H,22,25)/t13-,20-/m0/s1
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n/an/a 62n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428552
PNG
(CHEMBL2337512)
Show SMILES CNC(=O)c1ccc(nc1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C19H19ClN4O2/c1-12-19(26,17-6-4-14(11-23-17)18(25)22-2)7-8-24(12)15-5-3-13(10-21)16(20)9-15/h3-6,9,11-12,26H,7-8H2,1-2H3,(H,22,25)/t12-,19-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428556
PNG
(CHEMBL2337508)
Show SMILES OC1(CCN(C1)c1ccc(C#N)c(Cl)c1)c1ccc(F)cc1
Show InChI InChI=1S/C17H14ClFN2O/c18-16-9-15(6-1-12(16)10-20)21-8-7-17(22,11-21)13-2-4-14(19)5-3-13/h1-6,9,22H,7-8,11H2
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n/an/a 68n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428559
PNG
(CHEMBL2337506)
Show SMILES OC1CCN(C1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C11H11ClN2O/c12-11-5-9(2-1-8(11)6-13)14-4-3-10(15)7-14/h1-2,5,10,15H,3-4,7H2
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n/an/a 82n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428547
PNG
(CHEMBL2337517)
Show SMILES CNC(=O)c1ccc(cn1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(OC)c1
Show InChI InChI=1S/C20H22N4O3/c1-13-20(26,15-5-7-17(23-12-15)19(25)22-2)8-9-24(13)16-6-4-14(11-21)18(10-16)27-3/h4-7,10,12-13,26H,8-9H2,1-3H3,(H,22,25)/t13-,20-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428559
PNG
(CHEMBL2337506)
Show SMILES OC1CCN(C1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C11H11ClN2O/c12-11-5-9(2-1-8(11)6-13)14-4-3-10(15)7-14/h1-2,5,10,15H,3-4,7H2
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n/an/a 120n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428552
PNG
(CHEMBL2337512)
Show SMILES CNC(=O)c1ccc(nc1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C19H19ClN4O2/c1-12-19(26,17-6-4-14(11-23-17)18(25)22-2)7-8-24(12)15-5-3-13(10-21)16(20)9-15/h3-6,9,11-12,26H,7-8H2,1-2H3,(H,22,25)/t12-,19-/m0/s1
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428556
PNG
(CHEMBL2337508)
Show SMILES OC1(CCN(C1)c1ccc(C#N)c(Cl)c1)c1ccc(F)cc1
Show InChI InChI=1S/C17H14ClFN2O/c18-16-9-15(6-1-12(16)10-20)21-8-7-17(22,11-21)13-2-4-14(19)5-3-13/h1-6,9,22H,7-8,11H2
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n/an/a 180n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428545
PNG
(CHEMBL2337519)
Show SMILES CNC(=O)c1ccc(cn1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C19H19FN4O2/c1-12-19(26,14-4-6-17(23-11-14)18(25)22-2)7-8-24(12)15-5-3-13(10-21)16(20)9-15/h3-6,9,11-12,26H,7-8H2,1-2H3,(H,22,25)/t12-,19-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
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=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 330n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM50428557
PNG
(CHEMBL2337507)
Show SMILES OC1(CCN(C1)c1ccc(C#N)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C17H15ClN2O/c18-16-10-15(7-6-13(16)11-19)20-9-8-17(21,12-20)14-4-2-1-3-5-14/h1-7,10,21H,8-9,12H2
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n/an/a 370n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428557
PNG
(CHEMBL2337507)
Show SMILES OC1(CCN(C1)c1ccc(C#N)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C17H15ClN2O/c18-16-10-15(7-6-13(16)11-19)20-9-8-17(21,12-20)14-4-2-1-3-5-14/h1-7,10,21H,8-9,12H2
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n/an/a 380n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428546
PNG
(CHEMBL2337518)
Show SMILES CNC(=O)c1ccc(cn1)[C@]1(O)CCN([C@H]1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H20N4O2/c1-13-19(25,15-5-8-17(22-12-15)18(24)21-2)9-10-23(13)16-6-3-14(11-20)4-7-16/h3-8,12-13,25H,9-10H2,1-2H3,(H,21,24)/t13-,19-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428558
PNG
(CHEMBL2337505)
Show SMILES OC1(Cc2ccccc2)CCN(C1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C18H17ClN2O/c19-17-10-16(7-6-15(17)12-20)21-9-8-18(22,13-21)11-14-4-2-1-3-5-14/h1-7,10,22H,8-9,11,13H2
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n/an/a 420n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428545
PNG
(CHEMBL2337519)
Show SMILES CNC(=O)c1ccc(cn1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C19H19FN4O2/c1-12-19(26,14-4-6-17(23-11-14)18(25)22-2)7-8-24(12)15-5-3-13(10-21)16(20)9-15/h3-6,9,11-12,26H,7-8H2,1-2H3,(H,22,25)/t12-,19-/m0/s1
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n/an/a 830n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428558
PNG
(CHEMBL2337505)
Show SMILES OC1(Cc2ccccc2)CCN(C1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C18H17ClN2O/c19-17-10-16(7-6-15(17)12-20)21-9-8-18(22,13-21)11-14-4-2-1-3-5-14/h1-7,10,22H,8-9,11,13H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428550
PNG
(CHEMBL2337514)
Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(nc1)C(=O)N(C)C)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C20H21ClN4O2/c1-13-20(27,15-5-7-18(23-12-15)19(26)24(2)3)8-9-25(13)16-6-4-14(11-22)17(21)10-16/h4-7,10,12-13,27H,8-9H2,1-3H3/t13-,20-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428549
PNG
(CHEMBL2337515)
Show SMILES CNC(=O)c1ccc(cn1)[C@@]1(O)CCN([C@@H]1C)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C19H19ClN4O2/c1-12-19(26,14-4-6-17(23-11-14)18(25)22-2)7-8-24(12)15-5-3-13(10-21)16(20)9-15/h3-6,9,11-12,26H,7-8H2,1-2H3,(H,22,25)/t12-,19-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428550
PNG
(CHEMBL2337514)
Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(nc1)C(=O)N(C)C)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C20H21ClN4O2/c1-13-20(27,15-5-7-18(23-12-15)19(26)24(2)3)8-9-25(13)16-6-4-14(11-22)17(21)10-16/h4-7,10,12-13,27H,8-9H2,1-3H3/t13-,20-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428549
PNG
(CHEMBL2337515)
Show SMILES CNC(=O)c1ccc(cn1)[C@@]1(O)CCN([C@@H]1C)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C19H19ClN4O2/c1-12-19(26,14-4-6-17(23-11-14)18(25)22-2)7-8-24(12)15-5-3-13(10-21)16(20)9-15/h3-6,9,11-12,26H,7-8H2,1-2H3,(H,22,25)/t12-,19-/m1/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428546
PNG
(CHEMBL2337518)
Show SMILES CNC(=O)c1ccc(cn1)[C@]1(O)CCN([C@H]1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H20N4O2/c1-13-19(25,15-5-8-17(22-12-15)18(24)21-2)9-10-23(13)16-6-3-14(11-20)4-7-16/h3-8,12-13,25H,9-10H2,1-2H3,(H,21,24)/t13-,19-/m0/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM50428556
PNG
(CHEMBL2337508)
Show SMILES OC1(CCN(C1)c1ccc(C#N)c(Cl)c1)c1ccc(F)cc1
Show InChI InChI=1S/C17H14ClFN2O/c18-16-9-15(6-1-12(16)10-20)21-8-7-17(22,11-21)13-2-4-14(19)5-3-13/h1-6,9,22H,7-8,11H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at wild type Androgen receptor in human LNCaP-hr cells assessed as prostate specific antigen secrection measured after 3 days by enz...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428551
PNG
(CHEMBL2337513)
Show SMILES CNC(=O)c1ccc(cn1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C19H19ClN4O2/c1-12-19(26,14-4-6-17(23-11-14)18(25)22-2)7-8-24(12)15-5-3-13(10-21)16(20)9-15/h3-6,9,11-12,26H,7-8H2,1-2H3,(H,22,25)/t12-,19-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at wild type Androgen receptor in human LNCaP-hr cells assessed as prostate specific antigen secrection measured after 3 days by enz...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428557
PNG
(CHEMBL2337507)
Show SMILES OC1(CCN(C1)c1ccc(C#N)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C17H15ClN2O/c18-16-10-15(7-6-13(16)11-19)20-9-8-17(21,12-20)14-4-2-1-3-5-14/h1-7,10,21H,8-9,12H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at wild type Androgen receptor in human LNCaP-hr cells assessed as prostate specific antigen secrection measured after 3 days by enz...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428559
PNG
(CHEMBL2337506)
Show SMILES OC1CCN(C1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C11H11ClN2O/c12-11-5-9(2-1-8(11)6-13)14-4-3-10(15)7-14/h1-2,5,10,15H,3-4,7H2
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n/an/an/an/a 4.70E+3n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at wild type Androgen receptor in human LNCaP-hr cells assessed as prostate specific antigen secrection measured after 3 days by enz...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428553
PNG
(CHEMBL2337511)
Show SMILES CNC(=O)c1ccc(cc1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C20H20ClN3O2/c1-13-20(26,16-6-3-14(4-7-16)19(25)23-2)9-10-24(13)17-8-5-15(12-22)18(21)11-17/h3-8,11,13,26H,9-10H2,1-2H3,(H,23,25)/t13-,20-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at wild type Androgen receptor in human LNCaP-hr cells assessed as prostate specific antigen secrection measured after 3 days by enz...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428552
PNG
(CHEMBL2337512)
Show SMILES CNC(=O)c1ccc(nc1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C19H19ClN4O2/c1-12-19(26,17-6-4-14(11-23-17)18(25)22-2)7-8-24(12)15-5-3-13(10-21)16(20)9-15/h3-6,9,11-12,26H,7-8H2,1-2H3,(H,22,25)/t12-,19-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at wild type Androgen receptor in human LNCaP-hr cells assessed as prostate specific antigen secrection measured after 3 days by enz...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
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=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/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at wild type Androgen receptor in human LNCaP-hr cells assessed as prostate specific antigen secrection measured after 3 days by enz...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM50428550
PNG
(CHEMBL2337514)
Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(nc1)C(=O)N(C)C)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C20H21ClN4O2/c1-13-20(27,15-5-7-18(23-12-15)19(26)24(2)3)8-9-25(13)16-6-4-14(11-22)17(21)10-16/h4-7,10,12-13,27H,8-9H2,1-3H3/t13-,20-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at wild type Androgen receptor in human LNCaP-hr cells assessed as prostate specific antigen secrection measured after 3 days by enz...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428555
PNG
(CHEMBL2337509)
Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C18H16ClFN2O/c1-12-18(23,14-3-5-15(20)6-4-14)8-9-22(12)16-7-2-13(11-21)17(19)10-16/h2-7,10,12,23H,8-9H2,1H3/t12-,18-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at wild type Androgen receptor in human LNCaP-hr cells assessed as prostate specific antigen secrection measured after 3 days by enz...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428554
PNG
(CHEMBL2337510)
Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(cc1)C(N)=O)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C19H18ClN3O2/c1-12-19(25,15-5-2-13(3-6-15)18(22)24)8-9-23(12)16-7-4-14(11-21)17(20)10-16/h2-7,10,12,25H,8-9H2,1H3,(H2,22,24)/t12-,19-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at wild type Androgen receptor in human LNCaP-hr cells assessed as prostate specific antigen secrection measured after 3 days by enz...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428558
PNG
(CHEMBL2337505)
Show SMILES OC1(Cc2ccccc2)CCN(C1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C18H17ClN2O/c19-17-10-16(7-6-15(17)12-20)21-9-8-18(22,13-21)11-14-4-2-1-3-5-14/h1-7,10,22H,8-9,11,13H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at wild type Androgen receptor in human LNCaP-hr cells assessed as prostate specific antigen secrection measured after 3 days by enz...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50428549
PNG
(CHEMBL2337515)
Show SMILES CNC(=O)c1ccc(cn1)[C@@]1(O)CCN([C@@H]1C)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C19H19ClN4O2/c1-12-19(26,14-4-6-17(23-11-14)18(25)22-2)7-8-24(12)15-5-3-13(10-21)16(20)9-15/h3-6,9,11-12,26H,7-8H2,1-2H3,(H,22,25)/t12-,19-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at wild type Androgen receptor in human LNCaP-hr cells assessed as prostate specific antigen secrection measured after 3 days by enz...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
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n/an/an/an/a 6.20n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at wild type Androgen receptor in human LNCaP-hr cells assessed as prostate specific antigen secrection measured after 3 days by enz...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%