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Compile Data Set for Download or QSAR

Found 23 hits of kd for UniProtKB: P10275   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Androgen Receptor


(Homo sapiens (Human))
BDBM50367916
PNG
(METHYLTRIENOLONE | Metribolone | R-1881)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C
Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
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n/an/an/a 0.520n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Dissociation constant for [3H]R-1881 binding to human androgen receptor at 278 K


J Med Chem 48: 2026-35 (2005)


Article DOI: 10.1021/jm040842z
BindingDB Entry DOI: 10.7270/Q2J67HQX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50367916
PNG
(METHYLTRIENOLONE | Metribolone | R-1881)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C
Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
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n/an/an/a 0.560n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Dissociation constant for [3H]R-1881 binding to human androgen receptor at 283 K


J Med Chem 48: 2026-35 (2005)


Article DOI: 10.1021/jm040842z
BindingDB Entry DOI: 10.7270/Q2J67HQX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50367916
PNG
(METHYLTRIENOLONE | Metribolone | R-1881)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C
Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
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n/an/an/a 0.600n/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor


J Med Chem 53: 3349-60 (2010)


Article DOI: 10.1021/jm100052k
BindingDB Entry DOI: 10.7270/Q2BP03RQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50367916
PNG
(METHYLTRIENOLONE | Metribolone | R-1881)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C
Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
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n/an/an/a 0.610n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Dissociation constant for [3H]R-1881 binding to human androgen receptor at 273 K


J Med Chem 48: 2026-35 (2005)


Article DOI: 10.1021/jm040842z
BindingDB Entry DOI: 10.7270/Q2J67HQX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50367916
PNG
(METHYLTRIENOLONE | Metribolone | R-1881)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C
Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
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n/an/an/a 0.680n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Dissociation constant for [3H]R-1881 binding to human androgen receptor at 288 K


J Med Chem 48: 2026-35 (2005)


Article DOI: 10.1021/jm040842z
BindingDB Entry DOI: 10.7270/Q2J67HQX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50367916
PNG
(METHYLTRIENOLONE | Metribolone | R-1881)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C
Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
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n/an/an/a 0.740n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Dissociation constant value of the radiolabeled compound against the androgen receptor 293 K


J Med Chem 48: 2026-35 (2005)


Article DOI: 10.1021/jm040842z
BindingDB Entry DOI: 10.7270/Q2J67HQX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50367916
PNG
(METHYLTRIENOLONE | Metribolone | R-1881)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C
Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
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n/an/an/a 0.990n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Dissociation constant for [3H]R-1881 binding to human androgen receptor at 298 K


J Med Chem 48: 2026-35 (2005)


Article DOI: 10.1021/jm040842z
BindingDB Entry DOI: 10.7270/Q2J67HQX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50367916
PNG
(METHYLTRIENOLONE | Metribolone | R-1881)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C
Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
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n/an/an/a 1.21n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Dissociation constant for [3H]R-1881 binding to human androgen receptor at 303 K


J Med Chem 48: 2026-35 (2005)


Article DOI: 10.1021/jm040842z
BindingDB Entry DOI: 10.7270/Q2J67HQX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50131272
PNG
(3-(4-Fluoro-phenyl)-4-[1-(4-pyrrolidin-1-yl-phenyl...)
Show SMILES Fc1ccc(cc1)C1=NOC(=O)\C1=C/c1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C20H17FN2O2/c21-16-7-5-15(6-8-16)19-18(20(24)25-22-19)13-14-3-9-17(10-4-14)23-11-1-2-12-23/h3-10,13H,1-2,11-12H2/b18-13-
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n/an/an/a 1.40n/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Dissociation constant against GST-hARLBD was measured in SC-3 cell by using [3H]-testosterone as radioligand


Bioorg Med Chem Lett 13: 2655-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00575-4
BindingDB Entry DOI: 10.7270/Q26D5SDD
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50131269
PNG
(3-(2-Fluoro-phenyl)-4-[1-(4-pyrrolidin-1-yl-phenyl...)
Show SMILES Fc1ccccc1C1=NOC(=O)\C1=C/c1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C20H17FN2O2/c21-18-6-2-1-5-16(18)19-17(20(24)25-22-19)13-14-7-9-15(10-8-14)23-11-3-4-12-23/h1-2,5-10,13H,3-4,11-12H2/b17-13-
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n/an/an/a 1.40n/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Dissociation constant against GST-hARLBD was measured in SC-3 cell by using [3H]-testosterone as radioligand


Bioorg Med Chem Lett 13: 2655-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00575-4
BindingDB Entry DOI: 10.7270/Q26D5SDD
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50131271
PNG
(3-(4-Hydroxy-phenyl)-4-[1-(4-pyrrolidin-1-yl-pheny...)
Show SMILES Oc1ccc(cc1)C1=NOC(=O)\C1=C/c1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C20H18N2O3/c23-17-9-5-15(6-10-17)19-18(20(24)25-21-19)13-14-3-7-16(8-4-14)22-11-1-2-12-22/h3-10,13,23H,1-2,11-12H2/b18-13-
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n/an/an/a 1.40n/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Dissociation constant against GST-hARLBD was measured in SC-3 cell by using [3H]-testosterone as radioligand


Bioorg Med Chem Lett 13: 2655-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00575-4
BindingDB Entry DOI: 10.7270/Q26D5SDD
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50131268
PNG
(4-[1-(4-Dibutylamino-phenyl)-meth-(Z)-ylidene]-3-p...)
Show SMILES CCCCN(CCCC)c1ccc(\C=C2/C(=O)ON=C2c2ccccc2)cc1
Show InChI InChI=1S/C24H28N2O2/c1-3-5-16-26(17-6-4-2)21-14-12-19(13-15-21)18-22-23(25-28-24(22)27)20-10-8-7-9-11-20/h7-15,18H,3-6,16-17H2,1-2H3/b22-18-
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n/an/an/a 1.40n/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Dissociation constant against GST-hARLBD was measured in SC-3 cell by using [3H]-testosterone as radioligand


Bioorg Med Chem Lett 13: 2655-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00575-4
BindingDB Entry DOI: 10.7270/Q26D5SDD
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50367916
PNG
(METHYLTRIENOLONE | Metribolone | R-1881)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C
Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
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n/an/an/a 1.51n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Dissociation constant for [3H]R-1881 binding to human androgen receptor at 308 K


J Med Chem 48: 2026-35 (2005)


Article DOI: 10.1021/jm040842z
BindingDB Entry DOI: 10.7270/Q2J67HQX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50367916
PNG
(METHYLTRIENOLONE | Metribolone | R-1881)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C
Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
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n/an/an/a 1.95n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Dissociation constant for [3H]R-1881 binding to human androgen receptor at 310K


J Med Chem 48: 2026-35 (2005)


Article DOI: 10.1021/jm040842z
BindingDB Entry DOI: 10.7270/Q2J67HQX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM334273
PNG
(2-Butyl-2- hydroxy-hexanoic acid (2-bromo- pyridin...)
Show SMILES CCCCC(O)(CCCC)C(=O)Nc1ccnc(Br)c1
Show InChI InChI=1S/C15H23BrN2O2/c1-3-5-8-15(20,9-6-4-2)14(19)18-12-7-10-17-13(16)11-12/h7,10-11,20H,3-6,8-9H2,1-2H3,(H,17,18,19)
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US Patent
n/an/an/a 15n/an/an/an/an/a



Galderma Research & Development

US Patent


Assay Description
The N-(pyrid-4-yl)amides and N-(pyrimidin-4-yl)amides described herein exhibit androgen receptor (AR) inhibiting properties. This AR inhibiting activ...


US Patent US9732044 (2017)


BindingDB Entry DOI: 10.7270/Q2348NHJ
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM334276
PNG
(2-Hydroxy-2,4- dimethyl-pentanoic acid (2-bromo-6-...)
Show SMILES COc1cc(NC(=O)C(C)(O)CC(C)C)cc(Br)n1
Show InChI InChI=1S/C13H19BrN2O3/c1-8(2)7-13(3,18)12(17)15-9-5-10(14)16-11(6-9)19-4/h5-6,8,18H,7H2,1-4H3,(H,15,16,17)
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n/an/an/a 20n/an/an/an/an/a



Galderma Research & Development

US Patent


Assay Description
The N-(pyrid-4-yl)amides and N-(pyrimidin-4-yl)amides described herein exhibit androgen receptor (AR) inhibiting properties. This AR inhibiting activ...


US Patent US9732044 (2017)


BindingDB Entry DOI: 10.7270/Q2348NHJ
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM334272
PNG
(2-Hydroxy-2- methyl-hexanoic acid (2-bromo- 6-meth...)
Show SMILES CCCCC(C)(O)C(=O)Nc1cc(Br)nc(OC)c1
Show InChI InChI=1S/C13H19BrN2O3/c1-4-5-6-13(2,18)12(17)15-9-7-10(14)16-11(8-9)19-3/h7-8,18H,4-6H2,1-3H3,(H,15,16,17)
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n/an/an/a 30n/an/an/an/an/a



Galderma Research & Development

US Patent


Assay Description
The N-(pyrid-4-yl)amides and N-(pyrimidin-4-yl)amides described herein exhibit androgen receptor (AR) inhibiting properties. This AR inhibiting activ...


US Patent US9732044 (2017)


BindingDB Entry DOI: 10.7270/Q2348NHJ
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM334271
PNG
(2-Hydroxy-2- methyl- pentanoic acid (2-bromo-pyrid...)
Show SMILES CCCC(C)(O)C(=O)Nc1ccnc(Br)c1
Show InChI InChI=1S/C11H15BrN2O2/c1-3-5-11(2,16)10(15)14-8-4-6-13-9(12)7-8/h4,6-7,16H,3,5H2,1-2H3,(H,13,14,15)
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n/an/an/a 75n/an/an/an/an/a



Galderma Research & Development

US Patent


Assay Description
The N-(pyrid-4-yl)amides and N-(pyrimidin-4-yl)amides described herein exhibit androgen receptor (AR) inhibiting properties. This AR inhibiting activ...


US Patent US9732044 (2017)


BindingDB Entry DOI: 10.7270/Q2348NHJ
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM334277
PNG
(N-(2-Bromo-pyridin- 4-yl)-2-hydroxy- 2-methyl-4-ph...)
Show SMILES CC(O)(CCc1ccccc1)C(=O)Nc1ccnc(Br)c1
Show InChI InChI=1S/C16H17BrN2O2/c1-16(21,9-7-12-5-3-2-4-6-12)15(20)19-13-8-10-18-14(17)11-13/h2-6,8,10-11,21H,7,9H2,1H3,(H,18,19,20)
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n/an/an/a 100n/an/an/an/an/a



Galderma Research & Development

US Patent


Assay Description
The N-(pyrid-4-yl)amides and N-(pyrimidin-4-yl)amides described herein exhibit androgen receptor (AR) inhibiting properties. This AR inhibiting activ...


US Patent US9732044 (2017)


BindingDB Entry DOI: 10.7270/Q2348NHJ
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM334275
PNG
(N-(2-Bromo- pyridin-4-yl)-2- hydroxy-2-phenyl- pro...)
Show SMILES CC(O)(C(=O)Nc1ccnc(Br)c1)c1ccccc1
Show InChI InChI=1S/C14H13BrN2O2/c1-14(19,10-5-3-2-4-6-10)13(18)17-11-7-8-16-12(15)9-11/h2-9,19H,1H3,(H,16,17,18)
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n/an/an/a 100n/an/an/an/an/a



Galderma Research & Development

US Patent


Assay Description
The N-(pyrid-4-yl)amides and N-(pyrimidin-4-yl)amides described herein exhibit androgen receptor (AR) inhibiting properties. This AR inhibiting activ...


US Patent US9732044 (2017)


BindingDB Entry DOI: 10.7270/Q2348NHJ
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM334274
PNG
(N-(2-Bromo-pyridin- 4-yl)-2-hydroxy-4- (4-methoxy-...)
Show SMILES COc1ccc(CCC(C)(O)C(=O)Nc2ccnc(Br)c2)cc1
Show InChI InChI=1S/C17H19BrN2O3/c1-17(22,9-7-12-3-5-14(23-2)6-4-12)16(21)20-13-8-10-19-15(18)11-13/h3-6,8,10-11,22H,7,9H2,1-2H3,(H,19,20,21)
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n/an/an/a 300n/an/an/an/an/a



Galderma Research & Development

US Patent


Assay Description
The N-(pyrid-4-yl)amides and N-(pyrimidin-4-yl)amides described herein exhibit androgen receptor (AR) inhibiting properties. This AR inhibiting activ...


US Patent US9732044 (2017)


BindingDB Entry DOI: 10.7270/Q2348NHJ
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50529667
PNG
(CHEMBL4444904 | US10806720, Compound 11)
Show SMILES C[C@](O)(Cn1ccc2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H15F4N3O2/c1-19(29,11-27-7-6-12-8-14(21)3-5-17(12)27)18(28)26-15-4-2-13(10-25)16(9-15)20(22,23)24/h2-9,29H,11H2,1H3,(H,26,28)/t19-/m0/s1
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n/an/an/a 1.30E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor AF1 domain (141 to 486 residues) (unknown origin) incubated for 30 mins by steady-state fluorescence emission spectro...


J Med Chem 63: 11330-11361 (2020)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM334278
PNG
(4-(2-Hydroxy-2- methyl- pentanoylamino)- pyridine-...)
Show SMILES CCCC(C)(O)C(=O)Nc1ccnc(c1)C(=O)OC
Show InChI InChI=1S/C13H18N2O4/c1-4-6-13(2,18)12(17)15-9-5-7-14-10(8-9)11(16)19-3/h5,7-8,18H,4,6H2,1-3H3,(H,14,15,17)
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n/an/an/a 6.00E+3n/an/an/an/an/a



Galderma Research & Development

US Patent


Assay Description
The N-(pyrid-4-yl)amides and N-(pyrimidin-4-yl)amides described herein exhibit androgen receptor (AR) inhibiting properties. This AR inhibiting activ...


US Patent US9732044 (2017)


BindingDB Entry DOI: 10.7270/Q2348NHJ
More data for this
Ligand-Target Pair