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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 3521   
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))
BDBM35887
PNG
(flufenamic acid analogue, 14)
Show SMILES OC(=O)c1ccccc1Nc1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H14N2O5/c22-19(23)17-3-1-2-4-18(17)20-13-5-9-15(10-6-13)26-16-11-7-14(8-12-16)21(24)25/h1-12,20H,(H,22,23)
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n/an/a 2.80E+3n/a 5.65E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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))
BDBM35888
PNG
(flufenamic acid analogue, 15)
Show SMILES OC(=O)c1ccccc1Nc1ccc(Sc2ccccc2)cc1
Show InChI InChI=1S/C19H15NO2S/c21-19(22)17-8-4-5-9-18(17)20-14-10-12-16(13-11-14)23-15-6-2-1-3-7-15/h1-13,20H,(H,21,22)
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n/an/a 3.00E+3n/a 1.60E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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))
BDBM35889
PNG
(flufenamic acid analogue, 16)
Show SMILES OC(=O)c1ccccc1Nc1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H14F3NO3/c21-20(22,23)13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)24-18-4-2-1-3-17(18)19(25)26/h1-12,24H,(H,25,26)
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n/an/a 3.20E+3n/a 3.10E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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))
BDBM35890
PNG
(flufenamic acid analogue, 17)
Show SMILES CCCCCCOc1ccc(Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C19H23NO3/c1-2-3-4-7-14-23-16-12-10-15(11-13-16)20-18-9-6-5-8-17(18)19(21)22/h5-6,8-13,20H,2-4,7,14H2,1H3,(H,21,22)
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n/an/a 4.40E+3n/an/an/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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))
BDBM35891
PNG
(flufenamic acid analogue, 18)
Show SMILES CCCCCCc1ccc(Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C19H23NO2/c1-2-3-4-5-8-15-11-13-16(14-12-15)20-18-10-7-6-9-17(18)19(21)22/h6-7,9-14,20H,2-5,8H2,1H3,(H,21,22)
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n/an/a 4.40E+3n/a 3.90E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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))
BDBM35892
PNG
(flufenamic acid analogue, 19)
Show SMILES Cc1ccc(Oc2ccc(Nc3ccccc3C(O)=O)cc2)cc1
Show InChI InChI=1S/C20H17NO3/c1-14-6-10-16(11-7-14)24-17-12-8-15(9-13-17)21-19-5-3-2-4-18(19)20(22)23/h2-13,21H,1H3,(H,22,23)
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n/an/a 5.60E+3n/a 2.80E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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))
BDBM35893
PNG
(flufenamic acid analogue, 20)
Show SMILES OC(=O)c1ccccc1Nc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C20H17NO2/c22-20(23)18-8-4-5-9-19(18)21-17-12-10-16(11-13-17)14-15-6-2-1-3-7-15/h1-13,21H,14H2,(H,22,23)
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n/an/a 5.80E+3n/a 5.55E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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))
BDBM35894
PNG
(flufenamic acid analogue, 21)
Show SMILES OC(=O)c1ccccc1Nc1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H14FNO3/c20-13-5-9-15(10-6-13)24-16-11-7-14(8-12-16)21-18-4-2-1-3-17(18)19(22)23/h1-12,21H,(H,22,23)
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n/an/a 6.50E+3n/a 4.80E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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))
BDBM35895
PNG
(flufenamic acid analogue, 22)
Show SMILES CCCCCOC(=O)c1ccc(Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C19H21NO4/c1-2-3-6-13-24-19(23)14-9-11-15(12-10-14)20-17-8-5-4-7-16(17)18(21)22/h4-5,7-12,20H,2-3,6,13H2,1H3,(H,21,22)
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n/an/a 6.70E+3n/a 1.37E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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))
BDBM35896
PNG
(flufenamic acid analogue, 23)
Show SMILES OC(=O)c1ccccc1Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H15NO3/c21-19(22)17-8-4-5-9-18(17)20-14-10-12-16(13-11-14)23-15-6-2-1-3-7-15/h1-13,20H,(H,21,22)
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n/an/a 7.40E+3n/a 2.75E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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))
BDBM35885
PNG
(flufenamic acid tricyclic analogue, 9)
Show SMILES OC(=O)c1ccc(c2c1[nH]c1ccccc1c2=O)C(F)(F)F
Show InChI InChI=1S/C15H8F3NO3/c16-15(17,18)9-6-5-8(14(21)22)12-11(9)13(20)7-3-1-2-4-10(7)19-12/h1-6H,(H,19,20)(H,21,22)
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n/an/a 1.03E+4n/an/an/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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))
BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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)
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n/an/a 1.20E+4n/an/an/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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))
BDBM35897
PNG
(flufenamic acid analogue, 24)
Show SMILES OC(=O)c1ccccc1Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C14H9F3N2O4/c15-14(16,17)10-7-8(5-6-12(10)19(22)23)18-11-4-2-1-3-9(11)13(20)21/h1-7,18H,(H,20,21)
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n/an/a 1.35E+4n/an/an/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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))
BDBM35898
PNG
(flufenamic acid analogue, 25)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C13H10N2O4/c16-13(17)9-5-1-2-6-10(9)14-11-7-3-4-8-12(11)15(18)19/h1-8,14H,(H,16,17)
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n/an/a 2.19E+4n/a>1.00E+5n/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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))
BDBM35899
PNG
(flufenamic acid analogue, 26)
Show SMILES OC(=O)c1ccccc1Nc1ccc(Oc2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H14F3NO3/c21-20(22,23)16-12-13(24-17-9-5-4-8-15(17)19(25)26)10-11-18(16)27-14-6-2-1-3-7-14/h1-12,24H,(H,25,26)
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n/an/a 2.99E+4n/a 5.45E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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))
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 3.30E+4n/an/an/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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))
BDBM35900
PNG
(flufenamic acid analogue, 27)
Show SMILES OC(=O)c1ccccc1Nc1ccc(Oc2cccnc2)cc1
Show InChI InChI=1S/C18H14N2O3/c21-18(22)16-5-1-2-6-17(16)20-13-7-9-14(10-8-13)23-15-4-3-11-19-12-15/h1-12,20H,(H,21,22)
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n/an/a 3.70E+4n/an/an/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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))
BDBM35901
PNG
(cid_201986 | flufenamic acid analogue, 28)
Show SMILES OC(=O)c1ccccc1Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H10N2O4/c16-13(17)11-3-1-2-4-12(11)14-9-5-7-10(8-6-9)15(18)19/h1-8,14H,(H,16,17)
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n/an/a 3.70E+4n/an/an/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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))
BDBM35902
PNG
(flufenamic acid analogue, 29)
Show SMILES OC(=O)c1ccccc1Nc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C14H10F3NO2S/c15-14(16,17)21-10-7-5-9(6-8-10)18-12-4-2-1-3-11(12)13(19)20/h1-8,18H,(H,19,20)
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n/an/a 4.15E+4n/a 1.60E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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))
BDBM35903
PNG
(flufenamic acid analogue, 30)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1Sc1ccccc1
Show InChI InChI=1S/C19H15NO2S/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/a 5.06E+4n/a>1.00E+5n/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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))
BDBM35904
PNG
(flufenamic acid analogue, 31)
Show SMILES OC(=O)c1ccccc1Nc1cc(Oc2ccccc2)cc(Oc2ccccc2)c1
Show InChI InChI=1S/C25H19NO4/c27-25(28)23-13-7-8-14-24(23)26-18-15-21(29-19-9-3-1-4-10-19)17-22(16-18)30-20-11-5-2-6-12-20/h1-17,26H,(H,27,28)
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n/an/a 5.76E+4n/a 1.90E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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))
BDBM35905
PNG
(Tolfenamic acid | cid_610479 | flufenamic acid ana...)
Show SMILES Cc1c(Cl)cccc1Nc1ccccc1C(O)=O
Show InChI InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)
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n/an/a 5.79E+4n/an/an/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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))
BDBM35886
PNG
(flufenamic acid tricyclic analogue, 11)
Show SMILES OC(=O)c1cccc2Sc3ccc(cc3Nc12)C(F)(F)F
Show InChI InChI=1S/C14H8F3NO2S/c15-14(16,17)7-4-5-10-9(6-7)18-12-8(13(19)20)2-1-3-11(12)21-10/h1-6,18H,(H,19,20)
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n/an/a 6.75E+4n/an/an/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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))
BDBM35906
PNG
(flufenamic acid analogue, 33)
Show SMILES COc1ccc(Oc2ccc(Nc3ccccc3C(O)=O)cc2C(F)(F)F)cc1
Show InChI InChI=1S/C21H16F3NO4/c1-28-14-7-9-15(10-8-14)29-19-11-6-13(12-17(19)21(22,23)24)25-18-5-3-2-4-16(18)20(26)27/h2-12,25H,1H3,(H,26,27)
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n/an/a 7.12E+4n/a 4.15E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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))
BDBM35907
PNG
(flufenamic acid analogue, 34)
Show SMILES OC(=O)c1ccccc1Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C19H15NO2/c21-19(22)17-11-4-5-12-18(17)20-16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13,20H,(H,21,22)
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n/an/a 7.15E+4n/a 8.05E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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/a 8.69E+4n/a 7.05E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


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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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))
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))
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
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))
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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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))
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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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))
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))
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