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Compile Data Set for Download or QSAR

Found 11 hits of Enz. Inhib. data with enzyme = 'Androgen Receptor' and Substrate = 'SRC2-3 peptide'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Androgen Receptor


(Homo sapiens (human))
BDBM35910
PNG
(flufenamic acid analogue, 36)
Show SMILES OC(=O)c1ccccc1Nc1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C20H17NO3/c22-20(23)18-11-4-5-12-19(18)21-16-9-6-10-17(13-16)24-14-15-7-2-1-3-8-15/h1-13,21H,14H2,(H,22,23)
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PubMed
n/an/an/an/a 3.00E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
AR functionality was determined by fluorescence polarization (excitation @485 nm, emission @ 530 nm) assay, which measures fluorescently labeled SRC2...


ACS Chem Biol 4: 834-43 (2009)


Article DOI: 10.1021/cb900143a
BindingDB Entry DOI: 10.7270/Q2V986DC
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM35911
PNG
(flufenamic acid analogue, 37)
Show SMILES OC(=O)c1ccccc1Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-5-7-10(8-6-9)18-12-4-2-1-3-11(12)13(19)20/h1-8,18H,(H,19,20)
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PubMed
n/an/an/an/a 3.90E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
AR functionality was determined by fluorescence polarization (excitation @485 nm, emission @ 530 nm) assay, which measures fluorescently labeled SRC2...


ACS Chem Biol 4: 834-43 (2009)


Article DOI: 10.1021/cb900143a
BindingDB Entry DOI: 10.7270/Q2V986DC
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM35912
PNG
(flufenamic acid analogue, 38)
Show SMILES OC(=O)c1ccccc1Nc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C19H15NO3/c21-19(22)17-11-4-5-12-18(17)20-14-7-6-10-16(13-14)23-15-8-2-1-3-9-15/h1-13,20H,(H,21,22)
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PubMed
n/an/an/an/a 4.25E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
AR functionality was determined by fluorescence polarization (excitation @485 nm, emission @ 530 nm) assay, which measures fluorescently labeled SRC2...


ACS Chem Biol 4: 834-43 (2009)


Article DOI: 10.1021/cb900143a
BindingDB Entry DOI: 10.7270/Q2V986DC
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM35913
PNG
(flufenamic acid analogue, 39)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1Oc1ccccc1
Show InChI InChI=1S/C19H15NO3/c21-19(22)15-10-4-5-11-16(15)20-17-12-6-7-13-18(17)23-14-8-2-1-3-9-14/h1-13,20H,(H,21,22)
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n/an/an/an/a 4.85E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
AR functionality was determined by fluorescence polarization (excitation @485 nm, emission @ 530 nm) assay, which measures fluorescently labeled SRC2...


ACS Chem Biol 4: 834-43 (2009)


Article DOI: 10.1021/cb900143a
BindingDB Entry DOI: 10.7270/Q2V986DC
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM35914
PNG
(flufenamic acid analogue, 40)
Show SMILES OC(=O)c1ccccc1Nc1cccc(Cc2ccccc2)c1
Show InChI InChI=1S/C20H17NO2/c22-20(23)18-11-4-5-12-19(18)21-17-10-6-9-16(14-17)13-15-7-2-1-3-8-15/h1-12,14,21H,13H2,(H,22,23)
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n/an/an/an/a 5.40E+4n/an/an/an/a



St. Jude Research Hospital



Assay Description
AR functionality was determined by fluorescence polarization (excitation @485 nm, emission @ 530 nm) assay, which measures fluorescently labeled SRC2...


ACS Chem Biol 4: 834-43 (2009)


Article DOI: 10.1021/cb900143a
BindingDB Entry DOI: 10.7270/Q2V986DC
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM17636
PNG
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Show SMILES OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
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n/an/an/an/a 6.70E+4n/an/an/an/a



St. Jude Research Hospital



Assay Description
AR functionality was determined by fluorescence polarization (excitation @485 nm, emission @ 530 nm) assay, which measures fluorescently labeled SRC2...


ACS Chem Biol 4: 834-43 (2009)


Article DOI: 10.1021/cb900143a
BindingDB Entry DOI: 10.7270/Q2V986DC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM35916
PNG
(flufenamic acid analogue, 42)
Show SMILES CC(C)(C)c1ccc(Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C17H19NO2/c1-17(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)16(19)20/h4-11,18H,1-3H3,(H,19,20)
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n/an/an/an/a 6.40E+4n/an/an/an/a



St. Jude Research Hospital



Assay Description
AR functionality was determined by fluorescence polarization (excitation @485 nm, emission @ 530 nm) assay, which measures fluorescently labeled SRC2...


ACS Chem Biol 4: 834-43 (2009)


Article DOI: 10.1021/cb900143a
BindingDB Entry DOI: 10.7270/Q2V986DC
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM35917
PNG
(flufenamic acid analogue, 43)
Show SMILES OC(=O)c1ccccc1Nc1ccc2ccccc2c1
Show InChI InChI=1S/C17H13NO2/c19-17(20)15-7-3-4-8-16(15)18-14-10-9-12-5-1-2-6-13(12)11-14/h1-11,18H,(H,19,20)
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n/an/an/an/a 7.55E+4n/an/an/an/a



St. Jude Research Hospital



Assay Description
AR functionality was determined by fluorescence polarization (excitation @485 nm, emission @ 530 nm) assay, which measures fluorescently labeled SRC2...


ACS Chem Biol 4: 834-43 (2009)


Article DOI: 10.1021/cb900143a
BindingDB Entry DOI: 10.7270/Q2V986DC
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM35918
PNG
(flufenamic acid analogue, 44)
Show SMILES COc1ccccc1Oc1ccc(Nc2ccccc2C(O)=O)cc1C(F)(F)F
Show InChI InChI=1S/C21H16F3NO4/c1-28-18-8-4-5-9-19(18)29-17-11-10-13(12-15(17)21(22,23)24)25-16-7-3-2-6-14(16)20(26)27/h2-12,25H,1H3,(H,26,27)
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n/an/an/an/a 8.30E+4n/an/an/an/a



St. Jude Research Hospital



Assay Description
AR functionality was determined by fluorescence polarization (excitation @485 nm, emission @ 530 nm) assay, which measures fluorescently labeled SRC2...


ACS Chem Biol 4: 834-43 (2009)


Article DOI: 10.1021/cb900143a
BindingDB Entry DOI: 10.7270/Q2V986DC
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM35919
PNG
(flufenamic acid analogue, 45)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C19H15NO2/c21-19(22)16-11-5-7-13-18(16)20-17-12-6-4-10-15(17)14-8-2-1-3-9-14/h1-13,20H,(H,21,22)
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n/an/an/an/a 9.30E+4n/an/an/an/a



St. Jude Research Hospital



Assay Description
AR functionality was determined by fluorescence polarization (excitation @485 nm, emission @ 530 nm) assay, which measures fluorescently labeled SRC2...


ACS Chem Biol 4: 834-43 (2009)


Article DOI: 10.1021/cb900143a
BindingDB Entry DOI: 10.7270/Q2V986DC
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM35908
PNG
(flufenamic acid analogue, 35 | flufenamic acid ana...)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1OCc1ccccc1
Show InChI InChI=1S/C20H17NO3/c22-20(23)16-10-4-5-11-17(16)21-18-12-6-7-13-19(18)24-14-15-8-2-1-3-9-15/h1-13,21H,14H2,(H,22,23)
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n/an/an/an/a 5.60E+4n/an/an/an/a



St. Jude Research Hospital



Assay Description
AR functionality was determined by fluorescence polarization (excitation @485 nm, emission @ 530 nm) assay, which measures fluorescently labeled SRC2...


ACS Chem Biol 4: 834-43 (2009)


Article DOI: 10.1021/cb900143a
BindingDB Entry DOI: 10.7270/Q2V986DC
More data for this
Ligand-Target Pair