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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50040411   
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))
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/a 4.57n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50393821
PNG
(CHEMBL2159566)
Show SMILES FC(F)(F)c1cc(ccc1C#N)C1=NOC2CCCCC12 |t:13|
Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)12-7-9(5-6-10(12)8-19)14-11-3-1-2-4-13(11)21-20-14/h5-7,11,13H,1-4H2
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n/an/a 27.5n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393813
PNG
(CHEMBL2159561)
Show SMILES FC(F)(F)c1cc(ccc1C#N)C1=NOC2CCCCCC12 |t:13|
Show InChI InChI=1S/C16H15F3N2O/c17-16(18,19)13-8-10(6-7-11(13)9-20)15-12-4-2-1-3-5-14(12)22-21-15/h6-8,12,14H,1-5H2
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n/an/a 43.6n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393819
PNG
(CHEMBL2159568)
Show SMILES FC(F)(F)c1c(cccc1C1=NOC2CCCCC12)C#N |t:11|
Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)13-9(8-19)4-3-6-11(13)14-10-5-1-2-7-12(10)21-20-14/h3-4,6,10,12H,1-2,5,7H2
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n/an/a 64.6n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393819
PNG
(CHEMBL2159568)
Show SMILES FC(F)(F)c1c(cccc1C1=NOC2CCCCC12)C#N |t:11|
Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)13-9(8-19)4-3-6-11(13)14-10-5-1-2-7-12(10)21-20-14/h3-4,6,10,12H,1-2,5,7H2
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n/an/a 79.4n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393810
PNG
(CHEMBL2159540)
Show SMILES [O-][N+](=O)c1ccc(cc1C(F)(F)F)C1=NOC2CCCCCC12 |t:14|
Show InChI InChI=1S/C15H15F3N2O3/c16-15(17,18)11-8-9(6-7-12(11)20(21)22)14-10-4-2-1-3-5-13(10)23-19-14/h6-8,10,13H,1-5H2
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n/an/a 105n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393818
PNG
(CHEMBL2159569)
Show SMILES [O-][N+](=O)c1ccc(cc1C(F)(F)F)C1=NOC2CCCCC12 |t:14|
Show InChI InChI=1S/C14H13F3N2O3/c15-14(16,17)10-7-8(5-6-11(10)19(20)21)13-9-3-1-2-4-12(9)22-18-13/h5-7,9,12H,1-4H2
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n/an/a 120n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18678
PNG
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50393817
PNG
(CHEMBL2159570)
Show SMILES [O-][N+](=O)c1ccc(C2=NO[C@@H]3CCCC[C@H]23)c(c1)C(F)(F)F |r,t:7|
Show InChI InChI=1S/C14H13F3N2O3/c15-14(16,17)11-7-8(19(20)21)5-6-9(11)13-10-3-1-2-4-12(10)22-18-13/h5-7,10,12H,1-4H2/t10-,12+/m0/s1
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n/an/a 129n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393828
PNG
(CHEMBL2159730)
Show SMILES FC(F)(F)c1cc(ccc1C#N)C1=NO[C@@H]2CCC[C@H]12 |r,t:13|
Show InChI InChI=1S/C14H11F3N2O/c15-14(16,17)11-6-8(4-5-9(11)7-18)13-10-2-1-3-12(10)20-19-13/h4-6,10,12H,1-3H2/t10-,12+/m0/s1
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n/an/a 224n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM35909
PNG
(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)
Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
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n/an/a 224n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50393816
PNG
(CHEMBL2159571)
Show SMILES [O-][N+](=O)c1ccc(C2=NO[C@H]3CCCC[C@@H]23)c(c1)C(F)(F)F |r,t:7|
Show InChI InChI=1S/C14H13F3N2O3/c15-14(16,17)11-7-8(19(20)21)5-6-9(11)13-10-3-1-2-4-12(10)22-18-13/h5-7,10,12H,1-4H2/t10-,12+/m1/s1
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n/an/a 263n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393824
PNG
(CHEMBL2159563)
Show SMILES [O-][N+](=O)c1ccc(C2=NOC3CCCC23)c(c1)C(F)(F)F |t:7|
Show InChI InChI=1S/C13H11F3N2O3/c14-13(15,16)10-6-7(18(19)20)4-5-8(10)12-9-2-1-3-11(9)21-17-12/h4-6,9,11H,1-3H2
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n/an/a 269n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393805
PNG
(CHEMBL2159545)
Show SMILES FC(F)(F)c1cc(ccc1C#N)C1=NOC2CCCCCCC12 |t:13|
Show InChI InChI=1S/C17H17F3N2O/c18-17(19,20)14-9-11(7-8-12(14)10-21)16-13-5-3-1-2-4-6-15(13)23-22-16/h7-9,13,15H,1-6H2
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n/an/a 295n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393825
PNG
(CHEMBL2159562)
Show SMILES [O-][N+](=O)c1ccc(cc1C(F)(F)F)C1=NO[C@@H]2CCC[C@H]12 |r,t:14|
Show InChI InChI=1S/C13H11F3N2O3/c14-13(15,16)9-6-7(4-5-10(9)18(19)20)12-8-2-1-3-11(8)21-17-12/h4-6,8,11H,1-3H2/t8-,11+/m0/s1
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n/an/a 302n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393809
PNG
(CHEMBL2159541)
Show SMILES [O-][N+](=O)c1ccc(C2=NO[C@@H]3CCCCC[C@H]23)c(c1)C(F)(F)F |r,t:7|
Show InChI InChI=1S/C15H15F3N2O3/c16-15(17,18)12-8-9(20(21)22)6-7-10(12)14-11-4-2-1-3-5-13(11)23-19-14/h6-8,11,13H,1-5H2/t11-,13+/m0/s1
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n/an/a 309n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393808
PNG
(CHEMBL2159542)
Show SMILES [O-][N+](=O)c1ccc(C2=NO[C@H]3CCCCC[C@@H]23)c(c1)C(F)(F)F |r,t:7|
Show InChI InChI=1S/C15H15F3N2O3/c16-15(17,18)12-8-9(20(21)22)6-7-10(12)14-11-4-2-1-3-5-13(11)23-19-14/h6-8,11,13H,1-5H2/t11-,13+/m1/s1
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n/an/a 389n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393827
PNG
(CHEMBL2159731)
Show SMILES FC(F)(F)c1cc(ccc1C1=NOC2CCCC12)C#N |t:11|
Show InChI InChI=1S/C14H11F3N2O/c15-14(16,17)11-6-8(7-18)4-5-9(11)13-10-2-1-3-12(10)20-19-13/h4-6,10,12H,1-3H2
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n/an/a 447n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393829
PNG
(CHEMBL2159729)
Show SMILES FC(F)(F)c1cc(ccc1C#N)C1=NO[C@H]2CCC[C@@H]12 |r,t:13|
Show InChI InChI=1S/C14H11F3N2O/c15-14(16,17)11-6-8(4-5-9(11)7-18)13-10-2-1-3-12(10)20-19-13/h4-6,10,12H,1-3H2/t10-,12+/m1/s1
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n/an/a 617n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393804
PNG
(CHEMBL2159546)
Show SMILES FC(F)(F)c1cc(ccc1C1=NOC2CCCCCCC12)C#N |t:11|
Show InChI InChI=1S/C17H17F3N2O/c18-17(19,20)14-9-11(10-21)7-8-12(14)16-13-5-3-1-2-4-6-15(13)23-22-16/h7-9,13,15H,1-6H2
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n/an/a 646n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393806
PNG
(CHEMBL2159544)
Show SMILES Fc1ccc(C2=NOC3CCCCCC23)c(c1)C(F)(F)F |t:5|
Show InChI InChI=1S/C15H15F4NO/c16-9-6-7-10(12(8-9)15(17,18)19)14-11-4-2-1-3-5-13(11)21-20-14/h6-8,11,13H,1-5H2
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n/an/a 661n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393803
PNG
(CHEMBL2159547)
Show SMILES [O-][N+](=O)c1ccc(cc1C(F)(F)F)C1=NOC2CCCCCCC12 |t:14|
Show InChI InChI=1S/C16H17F3N2O3/c17-16(18,19)12-9-10(7-8-13(12)21(22)23)15-11-5-3-1-2-4-6-14(11)24-20-15/h7-9,11,14H,1-6H2
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n/an/a 708n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393802
PNG
(CHEMBL2159548)
Show SMILES [O-][N+](=O)c1ccc(C2=NOC3CCCCCCC23)c(c1)C(F)(F)F |t:7|
Show InChI InChI=1S/C16H17F3N2O3/c17-16(18,19)13-9-10(21(22)23)7-8-11(13)15-12-5-3-1-2-4-6-14(12)24-20-15/h7-9,12,14H,1-6H2
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n/an/a 741n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393802
PNG
(CHEMBL2159548)
Show SMILES [O-][N+](=O)c1ccc(C2=NOC3CCCCCCC23)c(c1)C(F)(F)F |t:7|
Show InChI InChI=1S/C16H17F3N2O3/c17-16(18,19)13-9-10(21(22)23)7-8-11(13)15-12-5-3-1-2-4-6-14(12)24-20-15/h7-9,12,14H,1-6H2
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n/an/a 776n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393806
PNG
(CHEMBL2159544)
Show SMILES Fc1ccc(C2=NOC3CCCCCC23)c(c1)C(F)(F)F |t:5|
Show InChI InChI=1S/C15H15F4NO/c16-9-6-7-10(12(8-9)15(17,18)19)14-11-4-2-1-3-5-13(11)21-20-14/h6-8,11,13H,1-5H2
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n/an/a 813n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393814
PNG
(CHEMBL2159573)
Show SMILES Fc1ccc(C2=NOC3CCCCC23)c(c1)C(F)(F)F |t:5|
Show InChI InChI=1S/C14H13F4NO/c15-8-5-6-9(11(7-8)14(16,17)18)13-10-3-1-2-4-12(10)20-19-13/h5-7,10,12H,1-4H2
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n/an/a 977n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393811
PNG
(CHEMBL2159539)
Show SMILES FC(F)(F)c1cc(ccc1C1=NOC2CCCCCC12)C#N |t:11|
Show InChI InChI=1S/C16H15F3N2O/c17-16(18,19)13-8-10(9-20)6-7-11(13)15-12-4-2-1-3-5-14(12)22-21-15/h6-8,12,14H,1-5H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393815
PNG
(CHEMBL2159572)
Show SMILES Fc1ccc(cc1C(F)(F)F)C1=NOC2CCCCC12 |t:12|
Show InChI InChI=1S/C14H13F4NO/c15-11-6-5-8(7-10(11)14(16,17)18)13-9-3-1-2-4-12(9)20-19-13/h5-7,9,12H,1-4H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393814
PNG
(CHEMBL2159573)
Show SMILES Fc1ccc(C2=NOC3CCCCC23)c(c1)C(F)(F)F |t:5|
Show InChI InChI=1S/C14H13F4NO/c15-8-5-6-9(11(7-8)14(16,17)18)13-10-3-1-2-4-12(10)20-19-13/h5-7,10,12H,1-4H2
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n/an/a 1.15E+3n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393811
PNG
(CHEMBL2159539)
Show SMILES FC(F)(F)c1cc(ccc1C1=NOC2CCCCCC12)C#N |t:11|
Show InChI InChI=1S/C16H15F3N2O/c17-16(18,19)13-8-10(9-20)6-7-11(13)15-12-4-2-1-3-5-14(12)22-21-15/h6-8,12,14H,1-5H2
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n/an/a 1.15E+3n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393820
PNG
(CHEMBL2159567)
Show SMILES FC(F)(F)c1cc(ccc1C1=NOC2CCCCC12)C#N |t:11|
Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)12-7-9(8-19)5-6-10(12)14-11-3-1-2-4-13(11)21-20-14/h5-7,11,13H,1-4H2
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n/an/a 1.15E+3n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393822
PNG
(CHEMBL2159565)
Show SMILES Fc1ccc(C2=NOC3CCCC23)c(c1)C(F)(F)F |t:5|
Show InChI InChI=1S/C13H11F4NO/c14-7-4-5-8(10(6-7)13(15,16)17)12-9-2-1-3-11(9)19-18-12/h4-6,9,11H,1-3H2
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n/an/a 1.35E+3n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393823
PNG
(CHEMBL2159564)
Show SMILES Fc1ccc(cc1C(F)(F)F)C1=NOC2CCCC12 |t:12|
Show InChI InChI=1S/C13H11F4NO/c14-10-5-4-7(6-9(10)13(15,16)17)12-8-2-1-3-11(8)19-18-12/h4-6,8,11H,1-3H2
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n/an/a 1.48E+3n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393822
PNG
(CHEMBL2159565)
Show SMILES Fc1ccc(C2=NOC3CCCC23)c(c1)C(F)(F)F |t:5|
Show InChI InChI=1S/C13H11F4NO/c14-7-4-5-8(10(6-7)13(15,16)17)12-9-2-1-3-11(9)19-18-12/h4-6,9,11H,1-3H2
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n/an/a 1.55E+3n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393820
PNG
(CHEMBL2159567)
Show SMILES FC(F)(F)c1cc(ccc1C1=NOC2CCCCC12)C#N |t:11|
Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)12-7-9(8-19)5-6-10(12)14-11-3-1-2-4-13(11)21-20-14/h5-7,11,13H,1-4H2
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n/an/a 1.78E+3n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393804
PNG
(CHEMBL2159546)
Show SMILES FC(F)(F)c1cc(ccc1C1=NOC2CCCCCCC12)C#N |t:11|
Show InChI InChI=1S/C17H17F3N2O/c18-17(19,20)14-9-11(10-21)7-8-12(14)16-13-5-3-1-2-4-6-15(13)23-22-16/h7-9,13,15H,1-6H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393826
PNG
(CHEMBL2159732)
Show SMILES [O-][N+](=O)c1ccc(cc1C(F)(F)F)C1=NO[C@H]2CCC[C@@H]12 |r,t:14|
Show InChI InChI=1S/C13H11F3N2O3/c14-13(15,16)9-6-7(4-5-10(9)18(19)20)12-8-2-1-3-11(8)21-17-12/h4-6,8,11H,1-3H2/t8-,11+/m1/s1
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n/an/a 2.51E+3n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393801
PNG
(CHEMBL2159549)
Show SMILES Fc1ccc(cc1C(F)(F)F)C1=NOC2CCCCCCC12 |t:12|
Show InChI InChI=1S/C16H17F4NO/c17-13-8-7-10(9-12(13)16(18,19)20)15-11-5-3-1-2-4-6-14(11)22-21-15/h7-9,11,14H,1-6H2
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n/an/a 2.82E+3n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393801
PNG
(CHEMBL2159549)
Show SMILES Fc1ccc(cc1C(F)(F)F)C1=NOC2CCCCCCC12 |t:12|
Show InChI InChI=1S/C16H17F4NO/c17-13-8-7-10(9-12(13)16(18,19)20)15-11-5-3-1-2-4-6-14(11)22-21-15/h7-9,11,14H,1-6H2
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n/an/a 5.89E+3n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393807
PNG
(CHEMBL2159543)
Show SMILES Fc1ccc(cc1C(F)(F)F)C1=NOC2CCCCCC12 |t:12|
Show InChI InChI=1S/C15H15F4NO/c16-12-7-6-9(8-11(12)15(17,18)19)14-10-4-2-1-3-5-13(10)21-20-14/h6-8,10,13H,1-5H2
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50393812
PNG
(CHEMBL2159550)
Show SMILES Fc1ccc(C2=NOC3CCCCCCC23)c(c1)C(F)(F)F |t:5|
Show InChI InChI=1S/C16H17F4NO/c17-10-7-8-11(13(9-10)16(18,19)20)15-12-5-3-1-2-4-6-14(12)22-21-15/h7-9,12,14H,1-6H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.32E+4n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair