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13 similar compounds to monomer 18681

Compile data set for download or QSAR
Wt: 395.3
BDBM18679
Wt: 395.3
BDBM18680
Wt: 437.4
BDBM18682
Wt: 469.4
BDBM18683
Wt: 471.8
BDBM18685
Wt: 471.8
BDBM18686
Wt: 516.3
BDBM18687
Wt: 516.3
BDBM18688
Wt: 395.3
BDBM18693
Wt: 395.3
BDBM18694
Wt: 437.4
BDBM18695
Wt: 437.4
BDBM18696
Wt: 471.8
BDBM18697

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 18679,18680,18682,18683,18685,18686,18687,18688,18693,18694,18695,18696,18697   
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))
BDBM18685
PNG
((2R)-3-{[4-(2-chloroacetamido)phenyl]sulfanyl}-N-[...)
Show SMILES C[C@](O)(CSc1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H17ClF3N3O3S/c1-19(30,11-31-15-6-4-13(5-7-15)26-17(28)9-21)18(29)27-14-3-2-12(10-25)16(8-14)20(22,23)24/h2-8,30H,9,11H2,1H3,(H,26,28)(H,27,29)/t19-/m0/s1
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PubMed
1.65n/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
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18685
PNG
((2R)-3-{[4-(2-chloroacetamido)phenyl]sulfanyl}-N-[...)
Show SMILES C[C@](O)(CSc1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H17ClF3N3O3S/c1-19(30,11-31-15-6-4-13(5-7-15)26-17(28)9-21)18(29)27-14-3-2-12(10-25)16(8-14)20(22,23)24/h2-8,30H,9,11H2,1H3,(H,26,28)(H,27,29)/t19-/m0/s1
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1.65 -11.1n/an/a 100n/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 (...


Biochem Biophys Res Commun 244: 1-4 (1998)


Article DOI: 10.1006/bbrc.1998.8209
BindingDB Entry DOI: 10.7270/Q2930RFC
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18685
PNG
((2R)-3-{[4-(2-chloroacetamido)phenyl]sulfanyl}-N-[...)
Show SMILES C[C@](O)(CSc1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H17ClF3N3O3S/c1-19(30,11-31-15-6-4-13(5-7-15)26-17(28)9-21)18(29)27-14-3-2-12(10-25)16(8-14)20(22,23)24/h2-8,30H,9,11H2,1H3,(H,26,28)(H,27,29)/t19-/m0/s1
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1.65 -11.1n/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 43: 581-90 (2000)


Article DOI: 10.1021/jm990027x
BindingDB Entry DOI: 10.7270/Q2DR2SR2
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18683
PNG
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydro...)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(cc1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H14F3N3O4S2/c1-18(27,10-31(28,29)15-6-4-13(5-7-15)24-11-30)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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41 -9.36n/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))
BDBM18683
PNG
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydro...)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(cc1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H14F3N3O4S2/c1-18(27,10-31(28,29)15-6-4-13(5-7-15)24-11-30)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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41 -9.36n/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 43: 581-90 (2000)


Article DOI: 10.1021/jm990027x
BindingDB Entry DOI: 10.7270/Q2DR2SR2
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18680
PNG
((2R)-3-[(3-aminophenyl)sulfanyl]-N-[4-cyano-3-(tri...)
Show SMILES C[C@](O)(CSc1cccc(N)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O2S/c1-17(26,10-27-14-4-2-3-12(23)7-14)16(25)24-13-6-5-11(9-22)15(8-13)18(19,20)21/h2-8,26H,10,23H2,1H3,(H,24,25)/t17-/m0/s1
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65 -9.11n/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 43: 581-90 (2000)


Article DOI: 10.1021/jm990027x
BindingDB Entry DOI: 10.7270/Q2DR2SR2
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18679
PNG
((2R)-3-[(4-aminophenyl)sulfanyl]-N-[4-cyano-3-(tri...)
Show SMILES C[C@](O)(CSc1ccc(N)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O2S/c1-17(26,10-27-14-6-3-12(23)4-7-14)16(25)24-13-5-2-11(9-22)15(8-13)18(19,20)21/h2-8,26H,10,23H2,1H3,(H,24,25)/t17-/m0/s1
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90 -8.93n/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 43: 581-90 (2000)


Article DOI: 10.1021/jm990027x
BindingDB Entry DOI: 10.7270/Q2DR2SR2
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18687
PNG
((2R)-3-{[4-(2-bromoacetamido)phenyl]sulfanyl}-N-[4...)
Show SMILES C[C@](O)(CSc1ccc(NC(=O)CBr)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H17BrF3N3O3S/c1-19(30,11-31-15-6-4-13(5-7-15)26-17(28)9-21)18(29)27-14-3-2-12(10-25)16(8-14)20(22,23)24/h2-8,30H,9,11H2,1H3,(H,26,28)(H,27,29)/t19-/m0/s1
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100 -8.87n/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 43: 581-90 (2000)


Article DOI: 10.1021/jm990027x
BindingDB Entry DOI: 10.7270/Q2DR2SR2
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18696
PNG
((2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydro...)
Show SMILES C[C@@](O)(CSc1cccc(c1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H14F3N3O2S2/c1-18(27,10-29-15-4-2-3-13(7-15)24-11-28)17(26)25-14-6-5-12(9-23)16(8-14)19(20,21)22/h2-8,27H,10H2,1H3,(H,25,26)/t18-/m1/s1
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130 -8.73n/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 43: 581-90 (2000)


Article DOI: 10.1021/jm990027x
BindingDB Entry DOI: 10.7270/Q2DR2SR2
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18697
PNG
((2S)-3-{[4-(2-chloroacetamido)phenyl]sulfanyl}-N-[...)
Show SMILES C[C@@](O)(CSc1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H17ClF3N3O3S/c1-19(30,11-31-15-6-4-13(5-7-15)26-17(28)9-21)18(29)27-14-3-2-12(10-25)16(8-14)20(22,23)24/h2-8,30H,9,11H2,1H3,(H,26,28)(H,27,29)/t19-/m1/s1
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200 -8.49n/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 43: 581-90 (2000)


Article DOI: 10.1021/jm990027x
BindingDB Entry DOI: 10.7270/Q2DR2SR2
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18682
PNG
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydro...)
Show SMILES C[C@](O)(CSc1cccc(c1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H14F3N3O2S2/c1-18(27,10-29-15-4-2-3-13(7-15)24-11-28)17(26)25-14-6-5-12(9-23)16(8-14)19(20,21)22/h2-8,27H,10H2,1H3,(H,25,26)/t18-/m0/s1
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230 -8.41n/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 43: 581-90 (2000)


Article DOI: 10.1021/jm990027x
BindingDB Entry DOI: 10.7270/Q2DR2SR2
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18695
PNG
((2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydro...)
Show SMILES C[C@@](O)(CSc1ccc(cc1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H14F3N3O2S2/c1-18(27,10-29-15-6-4-13(5-7-15)24-11-28)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-/m1/s1
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430 -8.07n/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 43: 581-90 (2000)


Article DOI: 10.1021/jm990027x
BindingDB Entry DOI: 10.7270/Q2DR2SR2
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18695
PNG
((2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydro...)
Show SMILES C[C@@](O)(CSc1ccc(cc1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H14F3N3O2S2/c1-18(27,10-29-15-6-4-13(5-7-15)24-11-28)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-/m1/s1
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430 -8.07n/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))
BDBM18693
PNG
((2S)-3-[(4-aminophenyl)sulfanyl]-N-[4-cyano-3-(tri...)
Show SMILES C[C@@](O)(CSc1ccc(N)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O2S/c1-17(26,10-27-14-6-3-12(23)4-7-14)16(25)24-13-5-2-11(9-22)15(8-13)18(19,20)21/h2-8,26H,10,23H2,1H3,(H,24,25)/t17-/m1/s1
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800 -7.73n/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 43: 581-90 (2000)


Article DOI: 10.1021/jm990027x
BindingDB Entry DOI: 10.7270/Q2DR2SR2
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18694
PNG
((2S)-3-[(3-aminophenyl)sulfanyl]-N-[4-cyano-3-(tri...)
Show SMILES C[C@@](O)(CSc1cccc(N)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O2S/c1-17(26,10-27-14-4-2-3-12(23)7-14)16(25)24-13-6-5-11(9-22)15(8-13)18(19,20)21/h2-8,26H,10,23H2,1H3,(H,24,25)/t17-/m1/s1
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>1.00E+3>-7.60n/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 43: 581-90 (2000)


Article DOI: 10.1021/jm990027x
BindingDB Entry DOI: 10.7270/Q2DR2SR2
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18686
PNG
((2R)-3-{[3-(2-chloroacetamido)phenyl]sulfanyl}-N-[...)
Show SMILES C[C@](O)(CSc1cccc(NC(=O)CCl)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H17ClF3N3O3S/c1-19(30,11-31-15-4-2-3-13(7-15)26-17(28)9-21)18(29)27-14-6-5-12(10-25)16(8-14)20(22,23)24/h2-8,30H,9,11H2,1H3,(H,26,28)(H,27,29)/t19-/m0/s1
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>1.00E+3>-7.60n/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 43: 581-90 (2000)


Article DOI: 10.1021/jm990027x
BindingDB Entry DOI: 10.7270/Q2DR2SR2
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18688
PNG
((2R)-3-{[3-(2-bromoacetamido)phenyl]sulfanyl}-N-[4...)
Show SMILES C[C@](O)(CSc1cccc(NC(=O)CBr)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H17BrF3N3O3S/c1-19(30,11-31-15-4-2-3-13(7-15)26-17(28)9-21)18(29)27-14-6-5-12(10-25)16(8-14)20(22,23)24/h2-8,30H,9,11H2,1H3,(H,26,28)(H,27,29)/t19-/m0/s1
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>1.00E+3>-7.60n/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 43: 581-90 (2000)


Article DOI: 10.1021/jm990027x
BindingDB Entry DOI: 10.7270/Q2DR2SR2
More data for this
Ligand-Target Pair