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PubMed code 17266194

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM13746
PNG
(2-((S)-1-(2-fluorophenyl)ethylamino)-5-isopropyl-5...)
Show SMILES CC(C)C1(C)SC(N[C@@H](C)c2ccccc2F)=NC1=O |r,c:17|
Show InChI InChI=1S/C15H19FN2OS/c1-9(2)15(4)13(19)18-14(20-15)17-10(3)11-7-5-6-8-12(11)16/h5-10H,1-4H3,(H,17,18,19)/t10-,15?/m0/s1
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PubMed
3 -48.2n/an/an/an/an/a7.222



Amgen



Assay Description
Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...


J Med Chem 50: 429-32 (2007)


Article DOI: 10.1021/jm061214f
BindingDB Entry DOI: 10.7270/Q20Z71JH
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM13749
PNG
((5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-met...)
Show SMILES CC(C)[C@]1(C)SC(N[C@@H](C)c2ccccc2F)=NC1=O |r,c:17|
Show InChI InChI=1S/C15H19FN2OS/c1-9(2)15(4)13(19)18-14(20-15)17-10(3)11-7-5-6-8-12(11)16/h5-10H,1-4H3,(H,17,18,19)/t10-,15-/m0/s1
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PubMed
4 -47.5n/an/an/an/an/a7.222



Amgen



Assay Description
Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...


J Med Chem 50: 429-32 (2007)


Article DOI: 10.1021/jm061214f
BindingDB Entry DOI: 10.7270/Q20Z71JH
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM13748
PNG
(2-((S)-1-(2-bromophenyl)ethylamino)-5-isopropyl-5-...)
Show SMILES CC(C)C1(C)SC(N[C@@H](C)c2ccccc2Br)=NC1=O |r,c:17|
Show InChI InChI=1S/C15H19BrN2OS/c1-9(2)15(4)13(19)18-14(20-15)17-10(3)11-7-5-6-8-12(11)16/h5-10H,1-4H3,(H,17,18,19)/t10-,15?/m0/s1
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PubMed
7 -46.1n/an/an/an/an/a7.222



Amgen



Assay Description
Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...


J Med Chem 50: 429-32 (2007)


Article DOI: 10.1021/jm061214f
BindingDB Entry DOI: 10.7270/Q20Z71JH
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM13747
PNG
(2-((S)-1-(2-chlorophenyl)ethylamino)-5-isopropyl-5...)
Show SMILES CC(C)C1(C)SC(N[C@@H](C)c2ccccc2Cl)=NC1=O |r,c:17|
Show InChI InChI=1S/C15H19ClN2OS/c1-9(2)15(4)13(19)18-14(20-15)17-10(3)11-7-5-6-8-12(11)16/h5-10H,1-4H3,(H,17,18,19)/t10-,15?/m0/s1
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PubMed
8 -45.7n/an/an/an/an/a7.222



Amgen



Assay Description
Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...


J Med Chem 50: 429-32 (2007)


Article DOI: 10.1021/jm061214f
BindingDB Entry DOI: 10.7270/Q20Z71JH
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM13750
PNG
((5R)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-met...)
Show SMILES CC(C)[C@@]1(C)SC(N[C@@H](C)c2ccccc2F)=NC1=O |r,c:17|
Show InChI InChI=1S/C15H19FN2OS/c1-9(2)15(4)13(19)18-14(20-15)17-10(3)11-7-5-6-8-12(11)16/h5-10H,1-4H3,(H,17,18,19)/t10-,15+/m0/s1
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PubMed
9 -45.5n/an/an/an/an/a7.222



Amgen



Assay Description
Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...


J Med Chem 50: 429-32 (2007)


Article DOI: 10.1021/jm061214f
BindingDB Entry DOI: 10.7270/Q20Z71JH
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM13745
PNG
(2-(S)-Phenethylamine analog 7 | 5-isopropyl-5-meth...)
Show SMILES CC(C)C1(C)SC(N[C@@H](C)c2ccccc2C(F)(F)F)=NC1=O |r,c:20|
Show InChI InChI=1S/C16H19F3N2OS/c1-9(2)15(4)13(22)21-14(23-15)20-10(3)11-7-5-6-8-12(11)16(17,18)19/h5-10H,1-4H3,(H,20,21,22)/t10-,15?/m0/s1
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18 -43.8n/an/an/an/an/a7.222



Amgen



Assay Description
Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...


J Med Chem 50: 429-32 (2007)


Article DOI: 10.1021/jm061214f
BindingDB Entry DOI: 10.7270/Q20Z71JH
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM13751
PNG
(2- ((S)-1-(2-fluorophenyl)ethylamino)-5-(2-fluorop...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)F)c1ccccc1F |r,t:3|
Show InChI InChI=1S/C15H18F2N2OS/c1-9(10-7-5-6-8-11(10)16)18-13-19-12(20)15(4,21-13)14(2,3)17/h5-9H,1-4H3,(H,18,19,20)/t9-,15?/m0/s1
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18 -43.8n/an/an/an/an/a7.222



Amgen



Assay Description
Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...


J Med Chem 50: 429-32 (2007)


Article DOI: 10.1021/jm061214f
BindingDB Entry DOI: 10.7270/Q20Z71JH
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM13752
PNG
(2-(S)-Phenethylamine analog 15 | 2-{[(1S)-1-(2-flu...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C(F)(F)F)c1ccccc1F |r,t:3|
Show InChI InChI=1S/C13H12F4N2OS/c1-7(8-5-3-4-6-9(8)14)18-11-19-10(20)12(2,21-11)13(15,16)17/h3-7H,1-2H3,(H,18,19,20)/t7-,12?/m0/s1
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20 -43.5n/an/an/an/an/a7.222



Amgen



Assay Description
Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...


J Med Chem 50: 429-32 (2007)


Article DOI: 10.1021/jm061214f
BindingDB Entry DOI: 10.7270/Q20Z71JH
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM13754
PNG
((5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-met...)
Show SMILES C[C@H](NC1=NC(=O)[C@](C)(S1)C(F)(F)F)c1ccccc1F |r,t:3|
Show InChI InChI=1S/C13H12F4N2OS/c1-7(8-5-3-4-6-9(8)14)18-11-19-10(20)12(2,21-11)13(15,16)17/h3-7H,1-2H3,(H,18,19,20)/t7-,12-/m0/s1
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Article
PubMed
22 -43.3n/an/an/an/an/a7.222



Amgen



Assay Description
Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...


J Med Chem 50: 429-32 (2007)


Article DOI: 10.1021/jm061214f
BindingDB Entry DOI: 10.7270/Q20Z71JH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM13744
PNG
(2-(S)-Phenethylamine analog 6 | 5-isopropyl-5-meth...)
Show SMILES CC(C)C1(C)SC(N[C@@H](C)c2cccc(c2)C(F)(F)F)=NC1=O |r,c:20|
Show InChI InChI=1S/C16H19F3N2OS/c1-9(2)15(4)13(22)21-14(23-15)20-10(3)11-6-5-7-12(8-11)16(17,18)19/h5-10H,1-4H3,(H,20,21,22)/t10-,15?/m0/s1
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45 -41.5n/an/an/an/an/a7.222



Amgen



Assay Description
Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...


J Med Chem 50: 429-32 (2007)


Article DOI: 10.1021/jm061214f
BindingDB Entry DOI: 10.7270/Q20Z71JH
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM13753
PNG
((5R)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-met...)
Show SMILES C[C@H](NC1=NC(=O)[C@@](C)(S1)C(F)(F)F)c1ccccc1F |r,t:3|
Show InChI InChI=1S/C13H12F4N2OS/c1-7(8-5-3-4-6-9(8)14)18-11-19-10(20)12(2,21-11)13(15,16)17/h3-7H,1-2H3,(H,18,19,20)/t7-,12+/m0/s1
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48 -41.4n/an/an/an/an/a7.222



Amgen



Assay Description
Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...


J Med Chem 50: 429-32 (2007)


Article DOI: 10.1021/jm061214f
BindingDB Entry DOI: 10.7270/Q20Z71JH
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM13741
PNG
(2-Benzylamine analog 3 | 5-isopropyl-5-methyl-2-((...)
Show SMILES CC(C)C1(C)SC(N[C@@H](C)c2ccccc2)=NC1=O |r,c:16|
Show InChI InChI=1S/C15H20N2OS/c1-10(2)15(4)13(18)17-14(19-15)16-11(3)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,16,17,18)/t11-,15?/m0/s1
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50 -41.3n/an/an/an/an/a7.222



Amgen



Assay Description
Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...


J Med Chem 50: 429-32 (2007)


Article DOI: 10.1021/jm061214f
BindingDB Entry DOI: 10.7270/Q20Z71JH
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM13740
PNG
(2-(benzylamino)-5-isopropyl-5-methylthiazol-4(5H)-...)
Show SMILES CC(C)C1(C)SC(NCc2ccccc2)=NC1=O |c:15|
Show InChI InChI=1S/C14H18N2OS/c1-10(2)14(3)12(17)16-13(18-14)15-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,15,16,17)
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65 -40.6n/an/an/an/an/a7.222



Amgen



Assay Description
Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...


J Med Chem 50: 429-32 (2007)


Article DOI: 10.1021/jm061214f
BindingDB Entry DOI: 10.7270/Q20Z71JH
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM13743
PNG
(2-(S)-Phenethylamine analog 5 | 5-isopropyl-5-meth...)
Show SMILES CC(C)C1(C)SC(N[C@@H](C)c2ccc(cc2)C(F)(F)F)=NC1=O |r,c:20|
Show InChI InChI=1S/C16H19F3N2OS/c1-9(2)15(4)13(22)21-14(23-15)20-10(3)11-5-7-12(8-6-11)16(17,18)19/h5-10H,1-4H3,(H,20,21,22)/t10-,15?/m0/s1
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87 -39.9n/an/an/an/an/a7.222



Amgen



Assay Description
Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...


J Med Chem 50: 429-32 (2007)


Article DOI: 10.1021/jm061214f
BindingDB Entry DOI: 10.7270/Q20Z71JH
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM13742
PNG
(2-Benzylamine analog 4 | 5-isopropyl-5-methyl-2-((...)
Show SMILES CC(C)C1(C)SC(N[C@H](C)c2ccccc2)=NC1=O |r,c:16|
Show InChI InChI=1S/C15H20N2OS/c1-10(2)15(4)13(18)17-14(19-15)16-11(3)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,16,17,18)/t11-,15?/m1/s1
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130 -38.9n/an/an/an/an/a7.222



Amgen



Assay Description
Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...


J Med Chem 50: 429-32 (2007)


Article DOI: 10.1021/jm061214f
BindingDB Entry DOI: 10.7270/Q20Z71JH
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM13738
PNG
(5-methyl-5-(propan-2-yl)-2-{[2-(trifluoromethyl)ph...)
Show SMILES CC(C)C1(C)SC(Nc2ccccc2C(F)(F)F)=NC1=O |c:18|
Show InChI InChI=1S/C14H15F3N2OS/c1-8(2)13(3)11(20)19-12(21-13)18-10-7-5-4-6-9(10)14(15,16)17/h4-8H,1-3H3,(H,18,19,20)
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503 -35.6n/an/an/an/an/a7.222



Amgen



Assay Description
Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...


J Med Chem 50: 429-32 (2007)


Article DOI: 10.1021/jm061214f
BindingDB Entry DOI: 10.7270/Q20Z71JH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%