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17 similar compounds to monomer 18665

Compile data set for download or QSAR
Wt: 441.3
BDBM19239
Wt: 459.3
BDBM19241
Wt: 475.8
BDBM19243
Wt: 459.3
BDBM19245
Wt: 475.8
BDBM19246
Wt: 402.2
BDBM18663
Purchase
Wt: 402.2
BDBM18664
Purchase
Wt: 426.3
BDBM18666
Wt: 440.3
BDBM18667
Wt: 418.7
BDBM18668
Wt: 463.2
BDBM18669
Wt: 510.2
BDBM18670
Wt: 398.3
BDBM18671
Wt: 414.3
BDBM18672
Wt: 499.4
BDBM18673
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 19239,19241,19243,19245,19246,18663,18664,18666,18667,18668,18669,18670,18671,18672,18673   
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))
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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PubMed
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


(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


(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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6.11 -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))
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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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))
BDBM18672
PNG
((2S)-2-hydroxy-3-(4-methoxyphenoxy)-2-methyl-N-[4-...)
Show SMILES COc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H17F3N2O6/c1-17(25,10-29-13-6-4-12(28-2)5-7-13)16(24)22-11-3-8-15(23(26)27)14(9-11)18(19,20)21/h3-9,25H,10H2,1-2H3,(H,22,24)/t17-/m0/s1
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13.7 -9.97n/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))
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))
BDBM18671
PNG
((2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-[4-n...)
Show SMILES Cc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H17F3N2O5/c1-11-3-6-13(7-4-11)28-10-17(2,25)16(24)22-12-5-8-15(23(26)27)14(9-12)18(19,20)21/h3-9,25H,10H2,1-2H3,(H,22,24)/t17-/m0/s1
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34.8 -9.45n/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))
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
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18664
PNG
((2R)-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-/m1/s1
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225 -8.42n/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
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18673
PNG
(Nonsteroidal AR Ligand, S-14 | tert-butyl N-{4-[(2...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H24F3N3O7/c1-20(2,3)35-19(30)27-13-5-8-15(9-6-13)34-12-21(4,31)18(29)26-14-7-10-17(28(32)33)16(11-14)22(23,24)25/h5-11,31H,12H2,1-4H3,(H,26,29)(H,27,30)/t21-/m0/s1
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336 -8.20n/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