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Compile Data Set for Download or QSAR

Found 51 hits Enz. Inhib. hit(s) with all data for entry = 50047643   
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))
BDBM50180693
PNG
(CHEMBL3819469)
Show SMILES Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(c1ccc(Cl)o1)C(F)(F)F
Show InChI InChI=1/C15H8ClF6NO2/c1-7-9(3-2-8(6-23)12(7)14(17,18)19)13(24,15(20,21)22)10-4-5-11(16)25-10/h2-5,24H,1H3
PDB
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n/an/an/an/a 2.90n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180833
PNG
(CHEMBL3818555)
Show SMILES Cc1c(ccc(C#N)c1C(F)(F)F)C(C)(C)C(O)C(F)(F)F
Show InChI InChI=1/C14H13F6NO/c1-7-9(12(2,3)11(22)14(18,19)20)5-4-8(6-21)10(7)13(15,16)17/h4-5,11,22H,1-3H3
PDB
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n/an/an/an/a 16n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180695
PNG
(CHEMBL3819080)
Show SMILES Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(c1ccco1)C(F)(F)F
Show InChI InChI=1/C15H9F6NO2/c1-8-10(5-4-9(7-22)12(8)14(16,17)18)13(23,15(19,20)21)11-3-2-6-24-11/h2-6,23H,1H3
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n/an/an/an/a 0.251n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180700
PNG
(CHEMBL3818235)
Show SMILES Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(c1cocn1)C(F)(F)F
Show InChI InChI=1/C14H8F6N2O2/c1-7-9(3-2-8(4-21)11(7)13(15,16)17)12(23,14(18,19)20)10-5-24-6-22-10/h2-3,5-6,23H,1H3
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n/an/an/an/a 0.501n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180707
PNG
(CHEMBL3819595)
Show SMILES Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(c1cscn1)C(F)(F)F
Show InChI InChI=1/C14H8F6N2OS/c1-7-9(3-2-8(4-21)11(7)13(15,16)17)12(23,14(18,19)20)10-5-24-6-22-10/h2-3,5-6,23H,1H3
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n/an/an/an/a 5.90n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180760
PNG
(CHEMBL3818438)
Show SMILES Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(c1nccs1)C(F)(F)F
Show InChI InChI=1/C14H8F6N2OS/c1-7-9(3-2-8(6-21)10(7)13(15,16)17)12(23,14(18,19)20)11-22-4-5-24-11/h2-5,23H,1H3
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n/an/an/an/a 10n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180761
PNG
(CHEMBL3819111)
Show SMILES OC(c1ccc(Cl)s1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C14H6ClF6NOS/c15-11-4-3-10(24-11)12(23,14(19,20)21)8-2-1-7(6-22)9(5-8)13(16,17)18/h1-5,23H
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n/an/an/an/a 20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180762
PNG
(CHEMBL3818412)
Show SMILES OC(c1ccc(Cl)o1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C14H6ClF6NO2/c15-11-4-3-10(24-11)12(23,14(19,20)21)8-2-1-7(6-22)9(5-8)13(16,17)18/h1-5,23H
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n/an/an/an/a 2.5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180791
PNG
(CHEMBL3819324)
Show SMILES OC(c1nccs1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C13H6F6N2OS/c14-12(15,16)9-5-8(2-1-7(9)6-20)11(22,13(17,18)19)10-21-3-4-23-10/h1-5,22H
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n/an/an/an/a 2n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180792
PNG
(CHEMBL3818942)
Show SMILES OC(c1cscn1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C13H6F6N2OS/c14-12(15,16)9-3-8(2-1-7(9)4-20)11(22,13(17,18)19)10-5-23-6-21-10/h1-3,5-6,22H
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n/an/an/an/a 2n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180793
PNG
(CHEMBL3818634)
Show SMILES OC(c1ccco1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C14H7F6NO2/c15-13(16,17)10-6-9(4-3-8(10)7-21)12(22,14(18,19)20)11-2-1-5-23-11/h1-6,22H
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n/an/an/an/a 1.30n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180794
PNG
(CHEMBL3818224)
Show SMILES OC(c1cocn1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C13H6F6N2O2/c14-12(15,16)9-3-8(2-1-7(9)4-20)11(22,13(17,18)19)10-5-23-6-21-10/h1-3,5-6,22H
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n/an/an/an/a 1.30n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180795
PNG
(CHEMBL3818069)
Show SMILES Cc1c(Cl)c(ccc1C(O)(C#CC1CC1)C(F)(F)F)C#N
Show InChI InChI=1/C15H11ClF3NO/c1-9-12(5-4-11(8-20)13(9)16)14(21,15(17,18)19)7-6-10-2-3-10/h4-5,10,21H,2-3H2,1H3
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n/an/an/an/a 16n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180796
PNG
(CHEMBL3817985)
Show SMILES Cc1c(Cl)c(ccc1C(O)(C#CC(C)(C)C)C(F)(F)F)C#N
Show InChI InChI=1/C16H15ClF3NO/c1-10-12(6-5-11(9-21)13(10)17)15(22,16(18,19)20)8-7-14(2,3)4/h5-6,22H,1-4H3
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n/an/an/an/a 79n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180797
PNG
(CHEMBL3818688)
Show SMILES Cc1c(Cl)c(ccc1C(O)(CC(C)(C)C)C(F)(F)F)C#N
Show InChI InChI=1/C15H17ClF3NO/c1-9-11(6-5-10(7-20)12(9)16)14(21,15(17,18)19)8-13(2,3)4/h5-6,21H,8H2,1-4H3
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n/an/an/an/a 4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180798
PNG
(CHEMBL3818258)
Show SMILES Cc1c(Cl)c(ccc1C(O)(C(C)(C)C)C(F)(F)F)C#N
Show InChI InChI=1/C14H15ClF3NO/c1-8-10(6-5-9(7-19)11(8)15)13(20,12(2,3)4)14(16,17)18/h5-6,20H,1-4H3
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n/an/an/an/a 79n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180799
PNG
(CHEMBL3818497)
Show SMILES Cc1c(Cl)c(ccc1C(O)(C1CC1)C(F)(F)F)C#N
Show InChI InChI=1/C13H11ClF3NO/c1-7-10(5-2-8(6-18)11(7)14)12(19,9-3-4-9)13(15,16)17/h2,5,9,19H,3-4H2,1H3
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n/an/an/an/a 0.200n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180800
PNG
(CHEMBL3818208)
Show SMILES CC(C)C(O)(c1ccc(C#N)c(Cl)c1C)C(F)(F)F
Show InChI InChI=1/C13H13ClF3NO/c1-7(2)12(19,13(15,16)17)10-5-4-9(6-18)11(14)8(10)3/h4-5,7,19H,1-3H3
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n/an/an/an/a 0.794n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180801
PNG
(CHEMBL3819094)
Show SMILES CCC(O)(c1ccc(C#N)c(Cl)c1C)C(F)(F)F
Show InChI InChI=1/C12H11ClF3NO/c1-3-11(18,12(14,15)16)9-5-4-8(6-17)10(13)7(9)2/h4-5,18H,3H2,1-2H3
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n/an/an/an/a 2n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180802
PNG
(CHEMBL3819002)
Show SMILES Cc1c(Cl)c(ccc1C(O)(C(F)(F)F)C(F)(F)F)C#N
Show InChI InChI=1S/C11H6ClF6NO/c1-5-7(3-2-6(4-19)8(5)12)9(20,10(13,14)15)11(16,17)18/h2-3,20H,1H3
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n/an/an/an/a 20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180803
PNG
(CHEMBL3818919)
Show SMILES CC(C)(C)CC(O)(c1ccc(C#N)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1/C14H14Cl2F3NO/c1-12(2,3)7-13(21,14(17,18)19)9-5-4-8(6-20)10(15)11(9)16/h4-5,21H,7H2,1-3H3
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n/an/an/an/a 3.20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180804
PNG
(CHEMBL3818549)
Show SMILES CC(C)CC(O)(c1ccc(C#N)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1/C13H12Cl2F3NO/c1-7(2)5-12(20,13(16,17)18)9-4-3-8(6-19)10(14)11(9)15/h3-4,7,20H,5H2,1-2H3
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n/an/an/an/a 3.20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180805
PNG
(CHEMBL3819640)
Show SMILES OC(C1CCC1)(c1ccc(C#N)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1/C13H10Cl2F3NO/c14-10-7(6-19)4-5-9(11(10)15)12(20,13(16,17)18)8-2-1-3-8/h4-5,8,20H,1-3H2
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n/an/an/an/a 0.631n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180806
PNG
(CHEMBL3818619)
Show SMILES OC(C1CC1)(c1ccc(C#N)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1/C12H8Cl2F3NO/c13-9-6(5-18)1-4-8(10(9)14)11(19,7-2-3-7)12(15,16)17/h1,4,7,19H,2-3H2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180807
PNG
(CHEMBL3818367)
Show SMILES CC(C)C(O)(c1ccc(C#N)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1/C12H10Cl2F3NO/c1-6(2)11(19,12(15,16)17)8-4-3-7(5-18)9(13)10(8)14/h3-4,6,19H,1-2H3
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n/an/an/an/a 0.794n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180808
PNG
(CHEMBL3819015)
Show SMILES CCC(O)(c1ccc(C#N)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1/C11H8Cl2F3NO/c1-2-10(18,11(14,15)16)7-4-3-6(5-17)8(12)9(7)13/h3-4,18H,2H2,1H3
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n/an/an/an/a 2.5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180809
PNG
(CHEMBL3818405)
Show SMILES CC(O)(c1ccc(C#N)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1/C10H6Cl2F3NO/c1-9(17,10(13,14)15)6-3-2-5(4-16)7(11)8(6)12/h2-3,17H,1H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180810
PNG
(CHEMBL3817881)
Show SMILES OC(C1CCCC1)(c1ccc(C#N)c(Cl)c1)C(F)(F)F
Show InChI InChI=1/C14H13ClF3NO/c15-12-7-11(6-5-9(12)8-19)13(20,14(16,17)18)10-3-1-2-4-10/h5-7,10,20H,1-4H2
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n/an/an/an/a 3.20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180811
PNG
(CHEMBL3819102)
Show SMILES OC(C1CCC1)(c1ccc(C#N)c(Cl)c1)C(F)(F)F
Show InChI InChI=1/C13H11ClF3NO/c14-11-6-10(5-4-8(11)7-18)12(19,13(15,16)17)9-2-1-3-9/h4-6,9,19H,1-3H2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180812
PNG
(CHEMBL3818577)
Show SMILES OC(C1CC1)(c1ccc(C#N)c(Cl)c1)C(F)(F)F
Show InChI InChI=1/C12H9ClF3NO/c13-10-5-9(2-1-7(10)6-17)11(18,8-3-4-8)12(14,15)16/h1-2,5,8,18H,3-4H2
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n/an/an/an/a 0.398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180813
PNG
(CHEMBL3819599)
Show SMILES CC(C)(C)C(O)(c1ccc(C#N)c(Cl)c1)C(F)(F)F
Show InChI InChI=1/C13H13ClF3NO/c1-11(2,3)12(19,13(15,16)17)9-5-4-8(7-18)10(14)6-9/h4-6,19H,1-3H3
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n/an/an/an/a 158n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180814
PNG
(CHEMBL3818620)
Show SMILES CC(C)C(O)(c1ccc(C#N)c(Cl)c1)C(F)(F)F
Show InChI InChI=1/C12H11ClF3NO/c1-7(2)11(18,12(14,15)16)9-4-3-8(6-17)10(13)5-9/h3-5,7,18H,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180815
PNG
(CHEMBL3818757)
Show SMILES Cc1c(C)c(ccc1C#N)C(O)(CC(C)(C)C)C(F)(F)F
Show InChI InChI=1/C16H20F3NO/c1-10-11(2)13(7-6-12(10)8-20)15(21,16(17,18)19)9-14(3,4)5/h6-7,21H,9H2,1-5H3
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n/an/an/an/a 20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180816
PNG
(CHEMBL3818854)
Show SMILES Cc1c(C)c(ccc1C#N)C(O)(C1CC1)C(F)(F)F
Show InChI InChI=1/C14H14F3NO/c1-8-9(2)12(6-3-10(8)7-18)13(19,11-4-5-11)14(15,16)17/h3,6,11,19H,4-5H2,1-2H3
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n/an/an/an/a 1.60n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180817
PNG
(CHEMBL3819417)
Show SMILES CC(C)C(O)(c1ccc(C#N)c(C)c1C)C(F)(F)F
Show InChI InChI=1/C14H16F3NO/c1-8(2)13(19,14(15,16)17)12-6-5-11(7-18)9(3)10(12)4/h5-6,8,19H,1-4H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180818
PNG
(CHEMBL3818033)
Show SMILES Cc1c(C)c(ccc1C#N)C(C)(O)C(F)(F)F
Show InChI InChI=1/C12H12F3NO/c1-7-8(2)10(5-4-9(7)6-16)11(3,17)12(13,14)15/h4-5,17H,1-3H3
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n/an/an/an/a 2.51E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180819
PNG
(CHEMBL3817997)
Show SMILES C\C=C(/C)C(O)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C14H11F6NO/c1-3-8(2)12(22,14(18,19)20)10-5-4-9(7-21)11(6-10)13(15,16)17/h3-6,22H,1-2H3/b8-3+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180820
PNG
(CHEMBL3818136)
Show SMILES CC(=C)C(O)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C13H9F6NO/c1-7(2)11(21,13(17,18)19)9-4-3-8(6-20)10(5-9)12(14,15)16/h3-5,21H,1H2,2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180821
PNG
(CHEMBL3818420)
Show SMILES OC(C=C)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C12H7F6NO/c1-2-10(20,12(16,17)18)8-4-3-7(6-19)9(5-8)11(13,14)15/h2-5,20H,1H2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180822
PNG
(CHEMBL3819393)
Show SMILES OC(C1CCC1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C14H11F6NO/c15-13(16,17)11-6-10(5-4-8(11)7-21)12(22,14(18,19)20)9-2-1-3-9/h4-6,9,22H,1-3H2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180823
PNG
(CHEMBL3819048)
Show SMILES OC(C1CC1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C13H9F6NO/c14-12(15,16)10-5-9(2-1-7(10)6-20)11(21,8-3-4-8)13(17,18)19/h1-2,5,8,21H,3-4H2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180824
PNG
(CHEMBL3818652)
Show SMILES OCC(O)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C11H7F6NO2/c12-10(13,14)8-3-7(2-1-6(8)4-18)9(20,5-19)11(15,16)17/h1-3,19-20H,5H2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180825
PNG
(CHEMBL3818826)
Show SMILES CC(C)C(O)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C13H11F6NO/c1-7(2)11(21,13(17,18)19)9-4-3-8(6-20)10(5-9)12(14,15)16/h3-5,7,21H,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180826
PNG
(CHEMBL3818789)
Show SMILES CCC(O)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C12H9F6NO/c1-2-10(20,12(16,17)18)8-4-3-7(6-19)9(5-8)11(13,14)15/h3-5,20H,2H2,1H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180827
PNG
(CHEMBL3818723)
Show SMILES OC(c1ccc(C#N)c(c1)C(F)(F)F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C11H4F9NO/c12-9(13,14)7-3-6(2-1-5(7)4-21)8(22,10(15,16)17)11(18,19)20/h1-3,22H
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180828
PNG
(CHEMBL3819648)
Show SMILES Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(C1CCC1)C(F)(F)F
Show InChI InChI=1/C15H13F6NO/c1-8-11(6-5-9(7-22)12(8)14(16,17)18)13(23,15(19,20)21)10-3-2-4-10/h5-6,10,23H,2-4H2,1H3
PDB
MMDB

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n/an/an/an/a 0.200n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180829
PNG
(CHEMBL3818706)
Show SMILES Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(C1CC1)C(F)(F)F
Show InChI InChI=1/C14H11F6NO/c1-7-10(12(22,9-3-4-9)14(18,19)20)5-2-8(6-21)11(7)13(15,16)17/h2,5,9,22H,3-4H2,1H3
PDB
MMDB

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n/an/an/an/a 0.0316n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180830
PNG
(CHEMBL3819303)
Show SMILES CC(C)C(O)(c1ccc(C#N)c(c1C)C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C14H13F6NO/c1-7(2)12(22,14(18,19)20)10-5-4-9(6-21)11(8(10)3)13(15,16)17/h4-5,7,22H,1-3H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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n/an/an/an/a 0.251n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180831
PNG
(CHEMBL3818542)
Show SMILES Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H6F9NO/c1-5-7(9(23,11(16,17)18)12(19,20)21)3-2-6(4-22)8(5)10(13,14)15/h2-3,23H,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
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n/an/an/an/a 1.60n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180832
PNG
(CHEMBL3819041)
Show SMILES Cc1c(ccc(C#N)c1C(F)(F)F)C(C)(O)C(F)(F)F
Show InChI InChI=1/C12H9F6NO/c1-6-8(10(2,20)12(16,17)18)4-3-7(5-19)9(6)11(13,14)15/h3-4,20H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
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