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24 molecules are shown

Compile data set for download or QSAR
Wt: 441.3
BDBM19239
Wt: 421.3
BDBM19240
Wt: 459.3
BDBM19241
Wt: 439.3
BDBM19242
Wt: 475.8
BDBM19243
Wt: 455.8
BDBM19244
Wt: 459.3
BDBM19245
Wt: 475.8
BDBM19246
Wt: 402.2
BDBM18663
Purchase
Wt: 441.3
BDBM18665
Purchase
Wt: 426.3
BDBM18666
Wt: 440.3
BDBM18667
Wt: 418.7
BDBM18668
Wt: 463.2
BDBM18669
Wt: 510.2
BDBM18670
Displayed 1 to 15 (of 24 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 19239,19240,19241,19242,19243,19244,19245,19246,18663,18665,18666,18667,18668,18669,18670   
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


(Rattus norvegicus (Rat))
BDBM18665
PNG
((2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[...)
Show SMILES CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1
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3.98 -10.6n/an/an/an/an/a7.44



University of Tennessee at Memphis



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


J Med Chem 47: 993-8 (2004)


Article DOI: 10.1021/jm030336u
BindingDB Entry DOI: 10.7270/Q2JH3JFB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM18665
PNG
((2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[...)
Show SMILES CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1
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4n/an/an/an/an/an/an/an/a



GTx, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor (unknown origin)


J Med Chem 52: 3597-617 (2009)


Article DOI: 10.1021/jm900280m
BindingDB Entry DOI: 10.7270/Q2GH9HWD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18665
PNG
((2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[...)
Show SMILES CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1
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4 -10.6n/an/an/an/an/a7.44



The Ohio State University



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


Bioorg Med Chem Lett 18: 5567-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.002
BindingDB Entry DOI: 10.7270/Q2W0948B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18667
PNG
((2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromet...)
Show SMILES CCC(=O)c1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H19F3N2O6/c1-3-17(26)12-4-7-14(8-5-12)31-11-19(2,28)18(27)24-13-6-9-16(25(29)30)15(10-13)20(21,22)23/h4-10,28H,3,11H2,1-2H3,(H,24,27)/t19-/m0/s1
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6.07 -10.4n/an/an/an/an/a7.44



University of Tennessee at Memphis



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


J Med Chem 47: 993-8 (2004)


Article DOI: 10.1021/jm030336u
BindingDB Entry DOI: 10.7270/Q2JH3JFB
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18663
PNG
((2S)-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-N-[4-n...)
Show SMILES C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C17H14F4N2O5/c1-16(25,9-28-12-5-2-10(18)3-6-12)15(24)22-11-4-7-14(23(26)27)13(8-11)17(19,20)21/h2-8,25H,9H2,1H3,(H,22,24)/t16-/m0/s1
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6.10n/an/an/an/an/an/an/an/a



GTx, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor (unknown origin)


J Med Chem 52: 3597-617 (2009)


Article DOI: 10.1021/jm900280m
BindingDB Entry DOI: 10.7270/Q2GH9HWD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18663
PNG
((2S)-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-N-[4-n...)
Show SMILES C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C17H14F4N2O5/c1-16(25,9-28-12-5-2-10(18)3-6-12)15(24)22-11-4-7-14(23(26)27)13(8-11)17(19,20)21/h2-8,25H,9H2,1H3,(H,22,24)/t16-/m0/s1
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6.10 -10.4n/an/an/an/an/a7.44



The Ohio State University



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


Bioorg Med Chem Lett 18: 5567-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.002
BindingDB Entry DOI: 10.7270/Q2W0948B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18663
PNG
((2S)-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-N-[4-n...)
Show SMILES C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C17H14F4N2O5/c1-16(25,9-28-12-5-2-10(18)3-6-12)15(24)22-11-4-7-14(23(26)27)13(8-11)17(19,20)21/h2-8,25H,9H2,1H3,(H,22,24)/t16-/m0/s1
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6.11 -10.4n/an/an/an/an/a7.44



University of Tennessee at Memphis



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


J Med Chem 47: 993-8 (2004)


Article DOI: 10.1021/jm030336u
BindingDB Entry DOI: 10.7270/Q2JH3JFB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM19242
PNG
((2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fl...)
Show SMILES C[C@](O)(COc1ccc(N=C=S)c(F)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H13F4N3O3S/c1-18(28,9-29-13-4-5-16(25-10-30)15(20)7-13)17(27)26-12-3-2-11(8-24)14(6-12)19(21,22)23/h2-7,28H,9H2,1H3,(H,26,27)/t18-/m0/s1
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6.30 -10.4n/an/an/an/an/a7.44



University of Tennessee Health Science Center



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


Bioorg Med Chem 14: 6525-38 (2006)


Article DOI: 10.1016/j.bmc.2006.06.019
BindingDB Entry DOI: 10.7270/Q2WQ022N
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM19240
PNG
((2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydro...)
Show SMILES C[C@](O)(COc1ccc(cc1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H14F3N3O3S/c1-18(27,10-28-15-6-4-13(5-7-15)24-11-29)17(26)25-14-3-2-12(9-23)16(8-14)19(20,21)22/h2-8,27H,10H2,1H3,(H,25,26)/t18-/m0/s1
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8.10 -10.3n/an/an/an/an/a7.44



University of Tennessee Health Science Center



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


Bioorg Med Chem 14: 6525-38 (2006)


Article DOI: 10.1016/j.bmc.2006.06.019
BindingDB Entry DOI: 10.7270/Q2WQ022N
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM19244
PNG
((2S)-3-(3-chloro-4-isothiocyanatophenoxy)-N-[4-cya...)
Show SMILES C[C@](O)(COc1ccc(N=C=S)c(Cl)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H13ClF3N3O3S/c1-18(28,9-29-13-4-5-16(25-10-30)15(20)7-13)17(27)26-12-3-2-11(8-24)14(6-12)19(21,22)23/h2-7,28H,9H2,1H3,(H,26,27)/t18-/m0/s1
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8.60 -10.2n/an/an/an/an/a7.44



University of Tennessee Health Science Center



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


Bioorg Med Chem 14: 6525-38 (2006)


Article DOI: 10.1016/j.bmc.2006.06.019
BindingDB Entry DOI: 10.7270/Q2WQ022N
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18668
PNG
((2S)-3-(4-chlorophenoxy)-2-hydroxy-2-methyl-N-[4-n...)
Show SMILES C[C@](O)(COc1ccc(Cl)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C17H14ClF3N2O5/c1-16(25,9-28-12-5-2-10(18)3-6-12)15(24)22-11-4-7-14(23(26)27)13(8-11)17(19,20)21/h2-8,25H,9H2,1H3,(H,22,24)/t16-/m0/s1
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9.56 -10.2n/an/an/an/an/a7.44



University of Tennessee at Memphis



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


J Med Chem 47: 993-8 (2004)


Article DOI: 10.1021/jm030336u
BindingDB Entry DOI: 10.7270/Q2JH3JFB
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18669
PNG
((2S)-3-(4-bromophenoxy)-2-hydroxy-2-methyl-N-[4-ni...)
Show SMILES C[C@](O)(COc1ccc(Br)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C17H14BrF3N2O5/c1-16(25,9-28-12-5-2-10(18)3-6-12)15(24)22-11-4-7-14(23(26)27)13(8-11)17(19,20)21/h2-8,25H,9H2,1H3,(H,22,24)/t16-/m0/s1
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PubMed
11.6 -10.1n/an/an/an/an/a7.44



University of Tennessee at Memphis



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


J Med Chem 47: 993-8 (2004)


Article DOI: 10.1021/jm030336u
BindingDB Entry DOI: 10.7270/Q2JH3JFB
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM19243
PNG
((2S)-3-(3-chloro-4-isothiocyanatophenoxy)-2-hydrox...)
Show SMILES C[C@](O)(COc1ccc(N=C=S)c(Cl)c1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C18H13ClF3N3O5S/c1-17(27,8-30-11-3-4-14(23-9-31)13(19)7-11)16(26)24-10-2-5-15(25(28)29)12(6-10)18(20,21)22/h2-7,27H,8H2,1H3,(H,24,26)/t17-/m0/s1
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11.9 -10.0n/an/an/an/an/a7.44



University of Tennessee Health Science Center



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


Bioorg Med Chem 14: 6525-38 (2006)


Article DOI: 10.1016/j.bmc.2006.06.019
BindingDB Entry DOI: 10.7270/Q2WQ022N
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM19241
PNG
((2S)-3-(3-fluoro-4-isothiocyanatophenoxy)-2-hydrox...)
Show SMILES C[C@](O)(COc1ccc(N=C=S)c(F)c1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C18H13F4N3O5S/c1-17(27,8-30-11-3-4-14(23-9-31)13(19)7-11)16(26)24-10-2-5-15(25(28)29)12(6-10)18(20,21)22/h2-7,27H,8H2,1H3,(H,24,26)/t17-/m0/s1
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12.6 -10.0n/an/an/an/an/a7.44



University of Tennessee Health Science Center



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


Bioorg Med Chem 14: 6525-38 (2006)


Article DOI: 10.1016/j.bmc.2006.06.019
BindingDB Entry DOI: 10.7270/Q2WQ022N
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18670
PNG
((2S)-2-hydroxy-3-(4-iodophenoxy)-2-methyl-N-[4-nit...)
Show SMILES C[C@](O)(COc1ccc(I)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C17H14F3IN2O5/c1-16(25,9-28-12-5-2-10(21)3-6-12)15(24)22-11-4-7-14(23(26)27)13(8-11)17(18,19)20/h2-8,25H,9H2,1H3,(H,22,24)/t16-/m0/s1
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30.0 -9.53n/an/an/an/an/a7.44



University of Tennessee at Memphis



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


J Med Chem 47: 993-8 (2004)


Article DOI: 10.1021/jm030336u
BindingDB Entry DOI: 10.7270/Q2JH3JFB
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM19246
PNG
((2S)-3-(2-chloro-4-isothiocyanatophenoxy)-2-hydrox...)
Show SMILES C[C@](O)(COc1ccc(cc1Cl)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C18H13ClF3N3O5S/c1-17(27,8-30-15-5-3-10(23-9-31)7-13(15)19)16(26)24-11-2-4-14(25(28)29)12(6-11)18(20,21)22/h2-7,27H,8H2,1H3,(H,24,26)/t17-/m0/s1
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31.1 -9.51n/an/an/an/an/a7.44



University of Tennessee Health Science Center



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


Bioorg Med Chem 14: 6525-38 (2006)


Article DOI: 10.1016/j.bmc.2006.06.019
BindingDB Entry DOI: 10.7270/Q2WQ022N
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM19245
PNG
((2S)-3-(2-fluoro-4-isothiocyanatophenoxy)-2-hydrox...)
Show SMILES C[C@](O)(COc1ccc(cc1F)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C18H13F4N3O5S/c1-17(27,8-30-15-5-3-10(23-9-31)7-13(15)19)16(26)24-11-2-4-14(25(28)29)12(6-11)18(20,21)22/h2-7,27H,8H2,1H3,(H,24,26)/t17-/m0/s1
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34.6 -9.45n/an/an/an/an/a7.44



University of Tennessee Health Science Center



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


Bioorg Med Chem 14: 6525-38 (2006)


Article DOI: 10.1016/j.bmc.2006.06.019
BindingDB Entry DOI: 10.7270/Q2WQ022N
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM19239
PNG
((2R)-2-hydroxy-3-(4-isothiocyanatophenoxy)-2-methy...)
Show SMILES C[C@@](O)(COc1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C18H14F3N3O5S/c1-17(26,9-29-13-5-2-11(3-6-13)22-10-30)16(25)23-12-4-7-15(24(27)28)14(8-12)18(19,20)21/h2-8,26H,9H2,1H3,(H,23,25)/t17-/m1/s1
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36.2 -9.43n/an/an/an/an/a7.44



University of Tennessee Health Science Center



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


Bioorg Med Chem 14: 6525-38 (2006)


Article DOI: 10.1016/j.bmc.2006.06.019
BindingDB Entry DOI: 10.7270/Q2WQ022N
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18666
PNG
((2S)-3-(4-acetylphenoxy)-2-hydroxy-2-methyl-N-[4-n...)
Show SMILES CC(=O)c1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H17F3N2O6/c1-11(25)12-3-6-14(7-4-12)30-10-18(2,27)17(26)23-13-5-8-16(24(28)29)15(9-13)19(20,21)22/h3-9,27H,10H2,1-2H3,(H,23,26)/t18-/m0/s1
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36.6 -9.42n/an/an/an/an/a7.44



University of Tennessee at Memphis



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


J Med Chem 47: 993-8 (2004)


Article DOI: 10.1021/jm030336u
BindingDB Entry DOI: 10.7270/Q2JH3JFB
More data for this
Ligand-Target Pair