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Compile Data Set for Download or QSAR

Found 141 hits with Last Name = 'rennie' and Initial = 'ps'   
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))
BDBM50051060
PNG
(CHEMBL3318070)
Show SMILES CC(C)N(Cc1ccco1)C(=O)c1cc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C17H17FN2O2/c1-11(2)20(10-14-4-3-7-22-14)17(21)16-8-12-5-6-13(18)9-15(12)19-16/h3-9,11,19H,10H2,1-2H3
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n/an/a 430n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in eGFP-expressing human LNCAP cells containing androgen-responsive probasin-derived promoter asse...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50359009
PNG
(CHEMBL1924002)
Show SMILES NS(=O)(=O)c1ccc2N[C@@H]([C@H]3CC=C[C@H]3c2c1)c1ccc(Br)cc1 |r,c:12|
Show InChI InChI=1S/C18H17BrN2O2S/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(24(20,22)23)8-9-17(16)21-18/h1-2,4-10,14-15,18,21H,3H2,(H2,20,22,23)/t14-,15+,18-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Transcriptional activity at human androgen receptor BF3 site stably transfected in eGFP-expressing human LNCAP cells after 5 days by fluorometric ana...


J Med Chem 54: 8563-73 (2011)


Article DOI: 10.1021/jm201098n
BindingDB Entry DOI: 10.7270/Q2QC03X8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051061
PNG
(CHEMBL3318069)
Show SMILES CC(C)N(Cc1ccco1)C(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C17H17FN2O2/c1-11(2)20(10-14-4-3-7-22-14)17(21)16-9-12-8-13(18)5-6-15(12)19-16/h3-9,11,19H,10H2,1-2H3
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n/an/a 500n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in human LNCAP cells containing androgen-responsive probasin-derived promoter assessed as reductio...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051060
PNG
(CHEMBL3318070)
Show SMILES CC(C)N(Cc1ccco1)C(=O)c1cc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C17H17FN2O2/c1-11(2)20(10-14-4-3-7-22-14)17(21)16-8-12-5-6-13(18)9-15(12)19-16/h3-9,11,19H,10H2,1-2H3
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n/an/a 530n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in human LNCAP cells containing androgen-responsive probasin-derived promoter assessed as reductio...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051061
PNG
(CHEMBL3318069)
Show SMILES CC(C)N(Cc1ccco1)C(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C17H17FN2O2/c1-11(2)20(10-14-4-3-7-22-14)17(21)16-9-12-8-13(18)5-6-15(12)19-16/h3-9,11,19H,10H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in eGFP-expressing human LNCAP cells containing androgen-responsive probasin-derived promoter asse...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051062
PNG
(CHEMBL3318068)
Show SMILES CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C18H19FN2O2/c1-11(2)21(10-15-7-4-12(3)23-15)18(22)17-8-13-5-6-14(19)9-16(13)20-17/h4-9,11,20H,10H2,1-3H3
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n/an/a 700n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in eGFP-expressing human LNCAP cells containing androgen-responsive probasin-derived promoter asse...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051062
PNG
(CHEMBL3318068)
Show SMILES CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C18H19FN2O2/c1-11(2)21(10-15-7-4-12(3)23-15)18(22)17-8-13-5-6-14(19)9-16(13)20-17/h4-9,11,20H,10H2,1-3H3
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n/an/a 840n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in human LNCAP cells containing androgen-responsive probasin-derived promoter assessed as reductio...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051064
PNG
(CHEMBL3318066)
Show SMILES CC(C)N(Cc1ccco1)C(=O)c1cc2ccc(C)cc2[nH]1
Show InChI InChI=1S/C18H20N2O2/c1-12(2)20(11-15-5-4-8-22-15)18(21)17-10-14-7-6-13(3)9-16(14)19-17/h4-10,12,19H,11H2,1-3H3
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n/an/a 850n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in human LNCAP cells containing androgen-responsive probasin-derived promoter assessed as reductio...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50359008
PNG
(CHEMBL1924001)
Show SMILES CCOC(=O)c1ccc2N[C@@H]([C@H]3CC=C[C@@H]3c2c1)c1ccccc1 |r,c:13|
Show InChI InChI=1S/C21H21NO2/c1-2-24-21(23)15-11-12-19-18(13-15)16-9-6-10-17(16)20(22-19)14-7-4-3-5-8-14/h3-9,11-13,16-17,20,22H,2,10H2,1H3/t16-,17-,20+/m0/s1
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n/an/a 900n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Transcriptional activity at human androgen receptor BF3 site stably transfected in eGFP-expressing human LNCAP cells after 5 days by fluorometric ana...


J Med Chem 54: 8563-73 (2011)


Article DOI: 10.1021/jm201098n
BindingDB Entry DOI: 10.7270/Q2QC03X8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051063
PNG
(CHEMBL3318067)
Show SMILES CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2cccc(F)c2[nH]1
Show InChI InChI=1S/C18H19FN2O2/c1-11(2)21(10-14-8-7-12(3)23-14)18(22)16-9-13-5-4-6-15(19)17(13)20-16/h4-9,11,20H,10H2,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in eGFP-expressing human LNCAP cells containing androgen-responsive probasin-derived promoter asse...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051064
PNG
(CHEMBL3318066)
Show SMILES CC(C)N(Cc1ccco1)C(=O)c1cc2ccc(C)cc2[nH]1
Show InChI InChI=1S/C18H20N2O2/c1-12(2)20(11-15-5-4-8-22-15)18(21)17-10-14-7-6-13(3)9-16(14)19-17/h4-10,12,19H,11H2,1-3H3
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n/an/a 1.02E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in eGFP-expressing human LNCAP cells containing androgen-responsive probasin-derived promoter asse...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051047
PNG
(CHEMBL3318065)
Show SMILES CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C18H19FN2O2/c1-11(2)21(10-15-6-4-12(3)23-15)18(22)17-9-13-8-14(19)5-7-16(13)20-17/h4-9,11,20H,10H2,1-3H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in eGFP-expressing human LNCAP cells containing androgen-responsive probasin-derived promoter asse...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50359007
PNG
(CHEMBL1924000)
Show SMILES COC(=O)c1ccc(cc1)[C@H]1Nc2ccc(cc2[C@H]2C=CC[C@@H]12)C(C)=O |r,c:21|
Show InChI InChI=1S/C22H21NO3/c1-13(24)16-10-11-20-19(12-16)17-4-3-5-18(17)21(23-20)14-6-8-15(9-7-14)22(25)26-2/h3-4,6-12,17-18,21,23H,5H2,1-2H3/t17-,18+,21+/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Transcriptional activity at human androgen receptor BF3 site stably transfected in eGFP-expressing human LNCAP cells after 5 days by fluorometric ana...


J Med Chem 54: 8563-73 (2011)


Article DOI: 10.1021/jm201098n
BindingDB Entry DOI: 10.7270/Q2QC03X8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051048
PNG
(CHEMBL3318064)
Show SMILES CC(C)N(Cc1ccco1)C(=O)c1cc2cc(C)ccc2[nH]1
Show InChI InChI=1S/C18H20N2O2/c1-12(2)20(11-15-5-4-8-22-15)18(21)17-10-14-9-13(3)6-7-16(14)19-17/h4-10,12,19H,11H2,1-3H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in human LNCAP cells containing androgen-responsive probasin-derived promoter assessed as reductio...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051063
PNG
(CHEMBL3318067)
Show SMILES CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2cccc(F)c2[nH]1
Show InChI InChI=1S/C18H19FN2O2/c1-11(2)21(10-14-8-7-12(3)23-14)18(22)16-9-13-5-4-6-15(19)17(13)20-16/h4-9,11,20H,10H2,1-3H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in human LNCAP cells containing androgen-responsive probasin-derived promoter assessed as reductio...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051048
PNG
(CHEMBL3318064)
Show SMILES CC(C)N(Cc1ccco1)C(=O)c1cc2cc(C)ccc2[nH]1
Show InChI InChI=1S/C18H20N2O2/c1-12(2)20(11-15-5-4-8-22-15)18(21)17-10-14-9-13(3)6-7-16(14)19-17/h4-10,12,19H,11H2,1-3H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in eGFP-expressing human LNCAP cells containing androgen-responsive probasin-derived promoter asse...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051047
PNG
(CHEMBL3318065)
Show SMILES CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C18H19FN2O2/c1-11(2)21(10-15-6-4-12(3)23-15)18(22)17-9-13-8-14(19)5-7-16(13)20-17/h4-9,11,20H,10H2,1-3H3
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n/an/a 1.38E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in human LNCAP cells containing androgen-responsive probasin-derived promoter assessed as reductio...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50425733
PNG
(CHEMBL2316547)
Show SMILES NS(=O)(=O)c1cccc2cc(SCCOc3ccccc3)[nH]c12
Show InChI InChI=1S/C16H16N2O3S2/c17-23(19,20)14-8-4-5-12-11-15(18-16(12)14)22-10-9-21-13-6-2-1-3-7-13/h1-8,11,18H,9-10H2,(H2,17,19,20)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of BF3 site of androgen receptor in human LNCAP cells expressing ARR2PB after 3 days by eGFP transcriptional assay


J Med Chem 56: 1136-48 (2013)


Article DOI: 10.1021/jm3015712
BindingDB Entry DOI: 10.7270/Q2ZW1N7N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50425733
PNG
(CHEMBL2316547)
Show SMILES NS(=O)(=O)c1cccc2cc(SCCOc3ccccc3)[nH]c12
Show InChI InChI=1S/C16H16N2O3S2/c17-23(19,20)14-8-4-5-12-11-15(18-16(12)14)22-10-9-21-13-6-2-1-3-7-13/h1-8,11,18H,9-10H2,(H2,17,19,20)
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of BF3 site of androgen receptor in human LNCAP cells expressing ARR2PB assessed as reduction in PSA level after 3 days


J Med Chem 56: 1136-48 (2013)


Article DOI: 10.1021/jm3015712
BindingDB Entry DOI: 10.7270/Q2ZW1N7N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051050
PNG
(CHEMBL3318062)
Show SMILES CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2ccc(C)cc2[nH]1
Show InChI InChI=1S/C19H22N2O2/c1-12(2)21(11-16-8-6-14(4)23-16)19(22)18-10-15-7-5-13(3)9-17(15)20-18/h5-10,12,20H,11H2,1-4H3
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n/an/a 1.65E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in human LNCAP cells containing androgen-responsive probasin-derived promoter assessed as reductio...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051049
PNG
(CHEMBL3318063)
Show SMILES CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2cc(C)ccc2[nH]1
Show InChI InChI=1S/C19H22N2O2/c1-12(2)21(11-16-7-6-14(4)23-16)19(22)18-10-15-9-13(3)5-8-17(15)20-18/h5-10,12,20H,11H2,1-4H3
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n/an/a 1.77E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in human LNCAP cells containing androgen-responsive probasin-derived promoter assessed as reductio...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50425735
PNG
(CHEMBL2316540)
Show SMILES Cc1cccc(OCCSc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C16H16N2OS/c1-12-5-4-6-13(11-12)19-9-10-20-16-17-14-7-2-3-8-15(14)18-16/h2-8,11H,9-10H2,1H3,(H,17,18)
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of BF3 site of androgen receptor in human LNCAP cells expressing ARR2PB after 3 days by eGFP transcriptional assay


J Med Chem 56: 1136-48 (2013)


Article DOI: 10.1021/jm3015712
BindingDB Entry DOI: 10.7270/Q2ZW1N7N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50425734
PNG
(CHEMBL2316542)
Show SMILES Cc1cccc(C)c1OCCSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H18N2OS/c1-12-6-5-7-13(2)16(12)20-10-11-21-17-18-14-8-3-4-9-15(14)19-17/h3-9H,10-11H2,1-2H3,(H,18,19)
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of BF3 site of androgen receptor in human LNCAP cells expressing ARR2PB assessed as reduction in PSA level after 3 days


J Med Chem 56: 1136-48 (2013)


Article DOI: 10.1021/jm3015712
BindingDB Entry DOI: 10.7270/Q2ZW1N7N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051062
PNG
(CHEMBL3318068)
Show SMILES CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C18H19FN2O2/c1-11(2)21(10-15-7-4-12(3)23-15)18(22)17-8-13-5-6-14(19)9-16(13)20-17/h4-9,11,20H,10H2,1-3H3
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n/an/a 2.18E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in human enzalutamide-resistant MR49F cells assessed as reduction in PSA expression after 3 days b...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051049
PNG
(CHEMBL3318063)
Show SMILES CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2cc(C)ccc2[nH]1
Show InChI InChI=1S/C19H22N2O2/c1-12(2)21(11-16-7-6-14(4)23-16)19(22)18-10-15-9-13(3)5-8-17(15)20-18/h5-10,12,20H,11H2,1-4H3
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n/an/a 2.67E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in eGFP-expressing human LNCAP cells containing androgen-responsive probasin-derived promoter asse...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50425734
PNG
(CHEMBL2316542)
Show SMILES Cc1cccc(C)c1OCCSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H18N2OS/c1-12-6-5-7-13(2)16(12)20-10-11-21-17-18-14-8-3-4-9-15(14)19-17/h3-9H,10-11H2,1-2H3,(H,18,19)
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of BF3 site of androgen receptor in human LNCAP cells expressing ARR2PB after 3 days by eGFP transcriptional assay


J Med Chem 56: 1136-48 (2013)


Article DOI: 10.1021/jm3015712
BindingDB Entry DOI: 10.7270/Q2ZW1N7N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051050
PNG
(CHEMBL3318062)
Show SMILES CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2ccc(C)cc2[nH]1
Show InChI InChI=1S/C19H22N2O2/c1-12(2)21(11-16-8-6-14(4)23-16)19(22)18-10-15-7-5-13(3)9-17(15)20-18/h5-10,12,20H,11H2,1-4H3
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n/an/a 2.89E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in eGFP-expressing human LNCAP cells containing androgen-responsive probasin-derived promoter asse...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051053
PNG
(CHEMBL3318059)
Show SMILES CN(Cc1ccc(Br)s1)C(=O)c1cc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C15H12BrFN2OS/c1-19(8-11-4-5-14(16)21-11)15(20)13-6-9-2-3-10(17)7-12(9)18-13/h2-7,18H,8H2,1H3
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n/an/a 3.06E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in human LNCAP cells containing androgen-responsive probasin-derived promoter assessed as reductio...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50425735
PNG
(CHEMBL2316540)
Show SMILES Cc1cccc(OCCSc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C16H16N2OS/c1-12-5-4-6-13(11-12)19-9-10-20-16-17-14-7-2-3-8-15(14)18-16/h2-8,11H,9-10H2,1H3,(H,17,18)
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of BF3 site of androgen receptor in human LNCAP cells expressing ARR2PB assessed as reduction in PSA level after 3 days


J Med Chem 56: 1136-48 (2013)


Article DOI: 10.1021/jm3015712
BindingDB Entry DOI: 10.7270/Q2ZW1N7N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051051
PNG
(CHEMBL3318061)
Show SMILES CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C18H20N2O2/c1-12(2)20(11-15-9-8-13(3)22-15)18(21)17-10-14-6-4-5-7-16(14)19-17/h4-10,12,19H,11H2,1-3H3
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n/an/a 3.32E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in eGFP-expressing human LNCAP cells containing androgen-responsive probasin-derived promoter asse...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051052
PNG
(CHEMBL3318060)
Show SMILES CN(Cc1cccs1)C(=O)c1cc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C15H13FN2OS/c1-18(9-12-3-2-6-20-12)15(19)14-7-10-4-5-11(16)8-13(10)17-14/h2-8,17H,9H2,1H3
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n/an/a 3.38E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in eGFP-expressing human LNCAP cells containing androgen-responsive probasin-derived promoter asse...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051051
PNG
(CHEMBL3318061)
Show SMILES CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C18H20N2O2/c1-12(2)20(11-15-9-8-13(3)22-15)18(21)17-10-14-6-4-5-7-16(14)19-17/h4-10,12,19H,11H2,1-3H3
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n/an/a 3.42E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in human LNCAP cells containing androgen-responsive probasin-derived promoter assessed as reductio...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051053
PNG
(CHEMBL3318059)
Show SMILES CN(Cc1ccc(Br)s1)C(=O)c1cc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C15H12BrFN2OS/c1-19(8-11-4-5-14(16)21-11)15(20)13-6-9-2-3-10(17)7-12(9)18-13/h2-7,18H,8H2,1H3
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n/an/a 3.53E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in eGFP-expressing human LNCAP cells containing androgen-responsive probasin-derived promoter asse...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50425738
PNG
(CHEMBL2316544)
Show SMILES Clc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C15H13ClN2OS/c16-11-5-7-12(8-6-11)19-9-10-20-15-17-13-3-1-2-4-14(13)18-15/h1-8H,9-10H2,(H,17,18)
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of BF3 site of androgen receptor in human LNCAP cells expressing ARR2PB after 3 days by eGFP transcriptional assay


J Med Chem 56: 1136-48 (2013)


Article DOI: 10.1021/jm3015712
BindingDB Entry DOI: 10.7270/Q2ZW1N7N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051054
PNG
(CHEMBL3317457)
Show SMILES Fc1ccc2cc([nH]c2c1)C(=O)N(Cc1ccco1)Cc1ccco1
Show InChI InChI=1S/C19H15FN2O3/c20-14-6-5-13-9-18(21-17(13)10-14)19(23)22(11-15-3-1-7-24-15)12-16-4-2-8-25-16/h1-10,21H,11-12H2
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n/an/a 4.04E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in eGFP-expressing human LNCAP cells containing androgen-responsive probasin-derived promoter asse...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM44830
PNG
(2-(2-Phenoxy-ethylsulfanyl)-1H-benzoimidazole | 2-...)
Show SMILES C(CSc1nc2ccccc2[nH]1)Oc1ccccc1
Show InChI InChI=1S/C15H14N2OS/c1-2-6-12(7-3-1)18-10-11-19-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of BF3 site of androgen receptor in human LNCAP cells expressing ARR2PB after 3 days by eGFP transcriptional assay


J Med Chem 56: 1136-48 (2013)


Article DOI: 10.1021/jm3015712
BindingDB Entry DOI: 10.7270/Q2ZW1N7N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM44830
PNG
(2-(2-Phenoxy-ethylsulfanyl)-1H-benzoimidazole | 2-...)
Show SMILES C(CSc1nc2ccccc2[nH]1)Oc1ccccc1
Show InChI InChI=1S/C15H14N2OS/c1-2-6-12(7-3-1)18-10-11-19-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of BF3 site of androgen receptor in human LNCAP cells expressing ARR2PB assessed as reduction in PSA level after 3 days


J Med Chem 56: 1136-48 (2013)


Article DOI: 10.1021/jm3015712
BindingDB Entry DOI: 10.7270/Q2ZW1N7N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50051057
PNG
(CHEMBL3318056)
Show SMILES O=C(N(CCC#N)Cc1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C19H17N3O/c20-11-6-12-22(14-15-7-2-1-3-8-15)19(23)18-13-16-9-4-5-10-17(16)21-18/h1-5,7-10,13,21H,6,12,14H2
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n/an/a 4.58E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in human LNCAP cells containing androgen-responsive probasin-derived promoter assessed as reductio...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50353034
PNG
(CHEMBL1302748)
Show SMILES COc1cc(ccc1O)C1Nc2cccc3cccc(N1)c23
Show InChI InChI=1S/C18H16N2O2/c1-22-16-10-12(8-9-15(16)21)18-19-13-6-2-4-11-5-3-7-14(20-18)17(11)13/h2-10,18-21H,1H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human AR AF2 site expressed in human LNCap cells coexpressing eGFP -ARR2PB assessed as inhibition of transcriptional activity


J Med Chem 54: 6197-205 (2011)


Article DOI: 10.1021/jm200532b
BindingDB Entry DOI: 10.7270/Q20G3KHB
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50425739
PNG
(CHEMBL2316543)
Show SMILES Clc1cccc(OCCSc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C15H13ClN2OS/c16-11-4-3-5-12(10-11)19-8-9-20-15-17-13-6-1-2-7-14(13)18-15/h1-7,10H,8-9H2,(H,17,18)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of BF3 site of androgen receptor in human LNCAP cells expressing ARR2PB after 3 days by eGFP transcriptional assay


J Med Chem 56: 1136-48 (2013)


Article DOI: 10.1021/jm3015712
BindingDB Entry DOI: 10.7270/Q2ZW1N7N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051055
PNG
(CHEMBL3318058)
Show SMILES CC(C)N(Cc1ccco1)C(=O)c1cc2cc(ccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N2O2/c1-11(2)23(10-14-4-3-7-25-14)17(24)16-9-12-8-13(18(19,20)21)5-6-15(12)22-16/h3-9,11,22H,10H2,1-2H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in eGFP-expressing human LNCAP cells containing androgen-responsive probasin-derived promoter asse...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051055
PNG
(CHEMBL3318058)
Show SMILES CC(C)N(Cc1ccco1)C(=O)c1cc2cc(ccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N2O2/c1-11(2)23(10-14-4-3-7-25-14)17(24)16-9-12-8-13(18(19,20)21)5-6-15(12)22-16/h3-9,11,22H,10H2,1-2H3
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n/an/a 5.29E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in human LNCAP cells containing androgen-responsive probasin-derived promoter assessed as reductio...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50425736
PNG
(CHEMBL2316546)
Show SMILES C(CSc1cc2ccccc2[nH]1)Oc1ccccc1
Show InChI InChI=1S/C16H15NOS/c1-2-7-14(8-3-1)18-10-11-19-16-12-13-6-4-5-9-15(13)17-16/h1-9,12,17H,10-11H2
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of BF3 site of androgen receptor in human LNCAP cells expressing ARR2PB after 3 days by eGFP transcriptional assay


J Med Chem 56: 1136-48 (2013)


Article DOI: 10.1021/jm3015712
BindingDB Entry DOI: 10.7270/Q2ZW1N7N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051052
PNG
(CHEMBL3318060)
Show SMILES CN(Cc1cccs1)C(=O)c1cc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C15H13FN2OS/c1-18(9-12-3-2-6-20-12)15(19)14-7-10-4-5-11(16)8-13(10)17-14/h2-8,17H,9H2,1H3
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n/an/a 5.45E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in human LNCAP cells containing androgen-responsive probasin-derived promoter assessed as reductio...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051054
PNG
(CHEMBL3317457)
Show SMILES Fc1ccc2cc([nH]c2c1)C(=O)N(Cc1ccco1)Cc1ccco1
Show InChI InChI=1S/C19H15FN2O3/c20-14-6-5-13-9-18(21-17(13)10-14)19(23)22(11-15-3-1-7-24-15)12-16-4-2-8-25-16/h1-10,21H,11-12H2
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n/an/a 5.48E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in human LNCAP cells containing androgen-responsive probasin-derived promoter assessed as reductio...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50353033
PNG
(CHEMBL1527972)
Show SMILES Oc1ccc(cc1)C1Nc2cccc3cccc(N1)c23
Show InChI InChI=1S/C17H14N2O/c20-13-9-7-12(8-10-13)17-18-14-5-1-3-11-4-2-6-15(19-17)16(11)14/h1-10,17-20H
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n/an/a 5.90E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human AR AF2 site expressed in human LNCap cells coexpressing eGFP -ARR2PB assessed as inhibition of transcriptional activity


J Med Chem 54: 6197-205 (2011)


Article DOI: 10.1021/jm200532b
BindingDB Entry DOI: 10.7270/Q20G3KHB
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50425733
PNG
(CHEMBL2316547)
Show SMILES NS(=O)(=O)c1cccc2cc(SCCOc3ccccc3)[nH]c12
Show InChI InChI=1S/C16H16N2O3S2/c17-23(19,20)14-8-4-5-12-11-15(18-16(12)14)22-10-9-21-13-6-2-1-3-7-13/h1-8,11,18H,9-10H2,(H2,17,19,20)
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n/an/a 6.40E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of BF3 site of androgen receptor in enzalutamide-resistant human LNCAP cells assessed as reduction in PSA level after 3 days


J Med Chem 56: 1136-48 (2013)


Article DOI: 10.1021/jm3015712
BindingDB Entry DOI: 10.7270/Q2ZW1N7N
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051056
PNG
(CHEMBL3318057)
Show SMILES COCCN(Cc1ccco1)C(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C17H17FN2O3/c1-22-8-6-20(11-14-3-2-7-23-14)17(21)16-10-12-9-13(18)4-5-15(12)19-16/h2-5,7,9-10,19H,6,8,11H2,1H3
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n/an/a 6.47E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in eGFP-expressing human LNCAP cells containing androgen-responsive probasin-derived promoter asse...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051058
PNG
(CHEMBL3318055)
Show SMILES CN(Cc1ccc(C)o1)C(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C16H15FN2O2/c1-10-3-5-13(21-10)9-19(2)16(20)15-8-11-7-12(17)4-6-14(11)18-15/h3-8,18H,9H2,1-2H3
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n/an/a 6.56E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in human LNCAP cells containing androgen-responsive probasin-derived promoter assessed as reductio...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50051056
PNG
(CHEMBL3318057)
Show SMILES COCCN(Cc1ccco1)C(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C17H17FN2O3/c1-22-8-6-20(11-14-3-2-7-23-14)17(21)16-10-12-9-13(18)4-5-15(12)19-16/h2-5,7,9-10,19H,6,8,11H2,1H3
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n/an/a 6.62E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in human LNCAP cells containing androgen-responsive probasin-derived promoter assessed as reductio...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
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