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Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'axerio-cilies' and Initial = 'p'   
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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 6.80E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of BF3 site of androgen receptor in 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))
BDBM50425740
PNG
(CHEMBL2316541)
Show SMILES Cc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C16H16N2OS/c1-12-6-8-13(9-7-12)19-10-11-20-16-17-14-4-2-3-5-15(14)18-16/h2-9H,10-11H2,1H3,(H,17,18)
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n/an/a 7.00E+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))
BDBM50425742
PNG
(CHEMBL2316538)
Show SMILES C(Cc1ccccc1)Sc1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H14N2S/c1-2-6-12(7-3-1)10-11-18-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)
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n/an/a 7.40E+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))
BDBM50353035
PNG
(CHEMBL1822155)
Show SMILES COc1ccc(cc1O)C1Nc2cccc3cccc(N1)c23
Show InChI InChI=1S/C18H16N2O2/c1-22-16-9-8-12(10-15(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 8.20E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of SRC2-3 peptide from human AR ligand binding site expressed in Escherichia coli BL21 by AF2 FP assay


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))
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>1.00E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor expressed in Escherichia coli BL21 cells


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))
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>1.00E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor expressed in Escherichia coli BL21 cells


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))
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>1.00E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor expressed in Escherichia coli BL21 cells


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))
BDBM50359006
PNG
(CHEMBL1738936)
Show SMILES Cc1ccc(OCCn2c(SCCOc3ccccc3)nc3ccccc23)cc1
Show InChI InChI=1S/C24H24N2O2S/c1-19-11-13-21(14-12-19)27-16-15-26-23-10-6-5-9-22(23)25-24(26)29-18-17-28-20-7-3-2-4-8-20/h2-14H,15-18H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor expressed in Escherichia coli BL21 cells


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
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50359011
PNG
(CHEMBL1924003)
Show SMILES Cc1cc(\C=C\C(O)=O)c(C)n1-c1ccc2OCOc2c1
Show InChI InChI=1S/C16H15NO4/c1-10-7-12(3-6-16(18)19)11(2)17(10)13-4-5-14-15(8-13)21-9-20-14/h3-8H,9H2,1-2H3,(H,18,19)/b6-3+
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor expressed in Escherichia coli BL21 cells


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))
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor expressed in Escherichia coli BL21 cells


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))
BDBM50359005
PNG
(CHEMBL1738937)
Show SMILES Cc1ccc(OCCn2c(SCCC(O)=O)nc3ccccc23)cc1
Show InChI InChI=1S/C19H20N2O3S/c1-14-6-8-15(9-7-14)24-12-11-21-17-5-3-2-4-16(17)20-19(21)25-13-10-18(22)23/h2-9H,10-13H2,1H3,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor expressed in Escherichia coli BL21 cells


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
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50359004
PNG
(CHEMBL1923999)
Show SMILES OC(=O)c1cccc(CSc2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C14H10Cl2O2S/c15-11-4-5-13(12(16)7-11)19-8-9-2-1-3-10(6-9)14(17)18/h1-7H,8H2,(H,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor expressed in Escherichia coli BL21 cells


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))
BDBM50425779
PNG
(CHEMBL2316559)
Show SMILES CC(C)OC(=O)Cn1c(SCCOc2ccc(C)cc2)nc2ccccc12
Show InChI InChI=1S/C21H24N2O3S/c1-15(2)26-20(24)14-23-19-7-5-4-6-18(19)22-21(23)27-13-12-25-17-10-8-16(3)9-11-17/h4-11,15H,12-14H2,1-3H3
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n/an/a 1.11E+4n/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))
BDBM33070
PNG
(4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxy-phenol ...)
Show SMILES CCOc1cc(ccc1O)C1Nc2cccc3cccc(N1)c23
Show InChI InChI=1S/C19H18N2O2/c1-2-23-17-11-13(9-10-16(17)22)19-20-14-7-3-5-12-6-4-8-15(21-19)18(12)14/h3-11,19-22H,2H2,1H3
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n/an/a 1.11E+4n/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))
BDBM50425745
PNG
(CHEMBL2316535)
Show SMILES C(CSc1nc2ccccc2[nH]1)Cc1ccccc1
Show InChI InChI=1S/C16H16N2S/c1-2-7-13(8-3-1)9-6-12-19-16-17-14-10-4-5-11-15(14)18-16/h1-5,7-8,10-11H,6,9,12H2,(H,17,18)
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n/an/a 1.20E+4n/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))
BDBM50425752
PNG
(CHEMBL2316554)
Show SMILES CCn1c(SCCOc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C17H18N2OS/c1-2-19-16-11-7-6-10-15(16)18-17(19)21-13-12-20-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
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n/an/a 1.20E+4n/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))
BDBM50425778
PNG
(CHEMBL2316560)
Show SMILES COCCn1c(SCCOc2ccc(C)cc2)nc2ccccc12
Show InChI InChI=1S/C19H22N2O2S/c1-15-7-9-16(10-8-15)23-13-14-24-19-20-17-5-3-4-6-18(17)21(19)11-12-22-2/h3-10H,11-14H2,1-2H3
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n/an/a 1.27E+4n/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))
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 1.30E+4n/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))
BDBM50359006
PNG
(CHEMBL1738936)
Show SMILES Cc1ccc(OCCn2c(SCCOc3ccccc3)nc3ccccc23)cc1
Show InChI InChI=1S/C24H24N2O2S/c1-19-11-13-21(14-12-19)27-16-15-26-23-10-6-5-9-22(23)25-24(26)29-18-17-28-20-7-3-2-4-8-20/h2-14H,15-18H2,1H3
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n/an/a 1.31E+4n/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
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50359006
PNG
(CHEMBL1738936)
Show SMILES Cc1ccc(OCCn2c(SCCOc3ccccc3)nc3ccccc23)cc1
Show InChI InChI=1S/C24H24N2O2S/c1-19-11-13-21(14-12-19)27-16-15-26-23-10-6-5-9-22(23)25-24(26)29-18-17-28-20-7-3-2-4-8-20/h2-14H,15-18H2,1H3
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n/an/a 1.31E+4n/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))
BDBM50425777
PNG
(CHEMBL2316561)
Show SMILES CC(C)OC(=O)Cn1c(SCCOc2cccc(C)c2)nc2ccccc12
Show InChI InChI=1S/C21H24N2O3S/c1-15(2)26-20(24)14-23-19-10-5-4-9-18(19)22-21(23)27-12-11-25-17-8-6-7-16(3)13-17/h4-10,13,15H,11-12,14H2,1-3H3
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n/an/a 1.37E+4n/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))
BDBM50425776
PNG
(CHEMBL2316562)
Show SMILES CCOC(=O)Cn1c(SCCOc2cccc(C)c2)nc2ccccc12
Show InChI InChI=1S/C20H22N2O3S/c1-3-24-19(23)14-22-18-10-5-4-9-17(18)21-20(22)26-12-11-25-16-8-6-7-15(2)13-16/h4-10,13H,3,11-12,14H2,1-2H3
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n/an/a 1.41E+4n/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))
BDBM50353036
PNG
(CHEMBL1822156)
Show SMILES Oc1ccc(cc1O)C1Nc2cccc3cccc(N1)c23
Show InChI InChI=1S/C17H14N2O2/c20-14-8-7-11(9-15(14)21)17-18-12-5-1-3-10-4-2-6-13(19-17)16(10)12/h1-9,17-21H
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n/an/a 1.86E+4n/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
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50425741
PNG
(CHEMBL2316539)
Show SMILES Cc1ccccc1OCCSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H16N2OS/c1-12-6-2-5-9-15(12)19-10-11-20-16-17-13-7-3-4-8-14(13)18-16/h2-9H,10-11H2,1H3,(H,17,18)
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n/an/a 1.90E+4n/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))
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 2.10E+4n/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
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50425775
PNG
(CHEMBL2316563)
Show SMILES CCOc1cccc(OCCSc2nc3ccccc3n2CCOc2ccc(C)cc2)c1
Show InChI InChI=1S/C26H28N2O3S/c1-3-29-22-7-6-8-23(19-22)31-17-18-32-26-27-24-9-4-5-10-25(24)28(26)15-16-30-21-13-11-20(2)12-14-21/h4-14,19H,3,15-18H2,1-2H3
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n/an/a 2.28E+4n/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))
BDBM50425774
PNG
(CHEMBL2316564)
Show SMILES COCCn1c(SCCOc2cccc(C)c2)nc2ccccc12
Show InChI InChI=1S/C19H22N2O2S/c1-15-6-5-7-16(14-15)23-12-13-24-19-20-17-8-3-4-9-18(17)21(19)10-11-22-2/h3-9,14H,10-13H2,1-2H3
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n/an/a 2.41E+4n/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))
BDBM50353037
PNG
(CHEMBL1822157)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C(O)=O)c(O)c1 |w:14.16|
Show InChI InChI=1S/C17H14N4O4/c1-10-15(16(23)21(20-10)12-5-3-2-4-6-12)19-18-11-7-8-13(17(24)25)14(22)9-11/h2-9,20,22H,1H3,(H,24,25)
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n/an/a 2.60E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of SRC2-3 peptide from human AR ligand binding site expressed in Escherichia coli BL21 by AF2 FP assay


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))
BDBM50353036
PNG
(CHEMBL1822156)
Show SMILES Oc1ccc(cc1O)C1Nc2cccc3cccc(N1)c23
Show InChI InChI=1S/C17H14N2O2/c20-14-8-7-11(9-15(14)21)17-18-12-5-1-3-10-4-2-6-13(19-17)16(10)12/h1-9,17-21H
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n/an/a 3.06E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of SRC2-3 peptide from human AR ligand binding site expressed in Escherichia coli BL21 by AF2 FP assay


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
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50425773
PNG
(CHEMBL2316565)
Show SMILES CC(C)OC(=O)Cn1c(SCCOc2ccc(C)c(C)c2)nc2ccccc12
Show InChI InChI=1S/C22H26N2O3S/c1-15(2)27-21(25)14-24-20-8-6-5-7-19(20)23-22(24)28-12-11-26-18-10-9-16(3)17(4)13-18/h5-10,13,15H,11-12,14H2,1-4H3
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n/an/a 3.06E+4n/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))
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 3.07E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of SRC2-3 peptide from human AR ligand binding site expressed in Escherichia coli BL21 by AF2 FP assay


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))
BDBM33070
PNG
(4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxy-phenol ...)
Show SMILES CCOc1cc(ccc1O)C1Nc2cccc3cccc(N1)c23
Show InChI InChI=1S/C19H18N2O2/c1-2-23-17-11-13(9-10-16(17)22)19-20-14-7-3-5-12-6-4-8-15(21-19)18(12)14/h3-11,19-22H,2H2,1H3
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n/an/a 3.15E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of SRC2-3 peptide from human AR ligand binding site expressed in Escherichia coli BL21 by AF2 FP assay


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))
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 3.29E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of SRC2-3 peptide from human AR ligand binding site expressed in Escherichia coli BL21 by AF2 FP assay


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
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