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Compile Data Set for Download or QSAR

Found 34 hits of kd data for polymerid = 1924   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r|
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/a 0.25n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Homo sapiens (Human))
BDBM8885
PNG
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18|
Show InChI InChI=1S/C19H28O2/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/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
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n/an/an/a 0.400n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H
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 |r,c:16,19,t:9|
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 |r,c:16,19,t:9|
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 |r,c:16,19,t:9|
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 |r,c:16,19,t:9|
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 |r,c:16,19,t:9|
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 |r,c:16,19,t:9|
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 |r,c:16,19,t:9|
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))
BDBM50067678
PNG
((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28|
Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1
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n/an/an/a 1n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H
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 |r,c:16,19,t:9|
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 |t:8|
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)


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 |t:8|
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)


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 |c:18|
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)


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 |t:8|
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)


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 |r,c:16,19,t:9|
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 |r,c:16,19,t:9|
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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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))
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))
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))
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


(Homo sapiens (Human))
BDBM50529667
PNG
(CHEMBL4444904 | US10806720, Compound 11 | US112305...)
Show SMILES C[C@](O)(Cn1ccc2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
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

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00093
BindingDB Entry DOI: 10.7270/Q2MC93N5
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
Androgen receptor


(Homo sapiens (Human))
BDBM50425732
PNG
(ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...)
Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)
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n/an/an/a 6.52E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00912
BindingDB Entry DOI: 10.7270/Q2N58RC9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50589959
PNG
(CHEMBL5203294)
Show SMILES Fc1ccc(NC(=O)Cc2ccn(n2)-c2ccc(C#N)c(c2)C(F)(F)F)cn1
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n/an/an/a 8.99E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00912
BindingDB Entry DOI: 10.7270/Q2N58RC9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50589954
PNG
(CHEMBL5177079)
Show SMILES Fc1ccc(NC(=O)Cc2ccn(n2)-c2ccc(C#N)c(c2)C(F)(F)F)cc1
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n/an/an/a 1.01E+4n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00912
BindingDB Entry DOI: 10.7270/Q2N58RC9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50589964
PNG
(CHEMBL5201101)
Show SMILES Fc1ccc(NC(=O)Cc2ccn(n2)-c2ccc(C#N)c(Cl)c2)cn1
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n/an/an/a 2.05E+4n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00912
BindingDB Entry DOI: 10.7270/Q2N58RC9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50425732
PNG
(ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...)
Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)
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n/an/an/a 4.02E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human AR LBD (663 to 920 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by biolayer interfe...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01938
BindingDB Entry DOI: 10.7270/Q27085BC
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50584670
PNG
(CHEMBL5085066)
Show SMILES CN(C)S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1
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n/an/an/a 7.59E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human AR LBD (663 to 920 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant in presence of DHT ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01938
BindingDB Entry DOI: 10.7270/Q27085BC
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50425732
PNG
(ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...)
Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)
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n/an/an/a 2.95E+5n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human AR LBD (663 to 920 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant in presence of DHT ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01938
BindingDB Entry DOI: 10.7270/Q27085BC
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50584670
PNG
(CHEMBL5085066)
Show SMILES CN(C)S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1
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n/an/an/a 7.60E+7n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human AR LBD (663 to 920 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by biolayer interfe...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01938
BindingDB Entry DOI: 10.7270/Q27085BC
More data for this
Ligand-Target Pair