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Compile Data Set for Download or QSAR

Found 805 hits with Last Name = 'ursu' and Initial = 's'   
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))
BDBM50248569
PNG
((1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydr...)
Show SMILES C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F |r|
Show InChI InChI=1S/C19H26F3N3O4S/c1-13-11-24(12-18(7-8-18)16(23)26)9-10-25(13)30(28,29)15-5-3-14(4-6-15)17(2,27)19(20,21)22/h3-6,13,27H,7-12H2,1-2H3,(H2,23,26)/t13-,17+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 using variable cofactor NADPH concentration by Lineweaver burk plot


Bioorg Med Chem 16: 8922-31 (2008)


Article DOI: 10.1016/j.bmc.2008.08.065
BindingDB Entry DOI: 10.7270/Q22F7N8T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50248569
PNG
((1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydr...)
Show SMILES C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F |r|
Show InChI InChI=1S/C19H26F3N3O4S/c1-13-11-24(12-18(7-8-18)16(23)26)9-10-25(13)30(28,29)15-5-3-14(4-6-15)17(2,27)19(20,21)22/h3-6,13,27H,7-12H2,1-2H3,(H2,23,26)/t13-,17+/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 using variable substrate cortisol concentration by Lineweaver burk plot


Bioorg Med Chem 16: 8922-31 (2008)


Article DOI: 10.1016/j.bmc.2008.08.065
BindingDB Entry DOI: 10.7270/Q22F7N8T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase type 1


(Canis familiaris)
BDBM50273458
PNG
((5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-...)
Show SMILES C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1
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12n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
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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22n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273822
PNG
(5-(4-Fluorophenyl)-2-[(S)-1-(4-fluorophenyl)ethyla...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(F)cc1)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C18H16F2N2OS/c1-11(12-3-7-14(19)8-4-12)21-17-22-16(23)18(2,24-17)13-5-9-15(20)10-6-13/h3-11H,1-2H3,(H,21,22,23)/t11-,18?/m0/s1
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22n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273456
PNG
((S)-5-(2-Hydroxypropan-2-yl)-5-methyl-2-{1-[2-(tri...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccccc1C(F)(F)F |r,t:3|
Show InChI InChI=1S/C16H19F3N2O2S/c1-9(10-7-5-6-8-11(10)16(17,18)19)20-13-21-12(22)15(4,24-13)14(2,3)23/h5-9,23H,1-4H3,(H,20,21,22)/t9-,15?/m0/s1
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25n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273859
PNG
(2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-(1-hydroxyc...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C1(O)CCCC1)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C17H21FN2O2S/c1-11(12-5-7-13(18)8-6-12)19-15-20-14(21)16(2,23-15)17(22)9-3-4-10-17/h5-8,11,22H,3-4,9-10H2,1-2H3,(H,19,20,21)/t11-,16?/m0/s1
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25n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273821
PNG
(CHEMBL458085 | Methyl 4-{2-[(S)-1-(4-fluorophenyl)...)
Show SMILES COC(=O)c1ccc(cc1)C1(C)SC(N[C@@H](C)c2ccc(F)cc2)=NC1=O |r,c:25|
Show InChI InChI=1S/C20H19FN2O3S/c1-12(13-6-10-16(21)11-7-13)22-19-23-18(25)20(2,27-19)15-8-4-14(5-9-15)17(24)26-3/h4-12H,1-3H3,(H,22,23,25)/t12-,20?/m0/s1
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26n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273455
PNG
(2-[(S)-1-(2-Chlorophenyl)ethylamino]-5-(2-hydroxyp...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccccc1Cl |r,t:3|
Show InChI InChI=1S/C15H19ClN2O2S/c1-9(10-7-5-6-8-11(10)16)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15?/m0/s1
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26n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273452
PNG
(2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-methyl-5-[4...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C(=O)N1CCCC1)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C23H24FN3O2S/c1-15(16-7-11-19(24)12-8-16)25-22-26-21(29)23(2,30-22)18-9-5-17(6-10-18)20(28)27-13-3-4-14-27/h5-12,15H,3-4,13-14H2,1-2H3,(H,25,26,29)/t15-,23?/m0/s1
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28n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273825
PNG
(1-(4-{2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-methy...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C1(CC1)C(N)=O)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C22H22FN3O2S/c1-13(14-3-9-17(23)10-4-14)25-20-26-19(28)21(2,29-20)15-5-7-16(8-6-15)22(11-12-22)18(24)27/h3-10,13H,11-12H2,1-2H3,(H2,24,27)(H,25,26,28)/t13-,21?/m0/s1
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30n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273454
PNG
(2-[(S)-1-(2-Fluorophenyl)ethylamino]-5-(2-hydroxyp...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccccc1F |r,t:3|
Show InChI InChI=1S/C15H19FN2O2S/c1-9(10-7-5-6-8-11(10)16)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15?/m0/s1
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34n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273458
PNG
((5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-...)
Show SMILES C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1
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35n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273398
PNG
(4-{2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-methyl-4...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C(N)=O)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C19H18FN3O2S/c1-11(12-5-9-15(20)10-6-12)22-18-23-17(25)19(2,26-18)14-7-3-13(4-8-14)16(21)24/h3-11H,1-2H3,(H2,21,24)(H,22,23,25)/t11-,19?/m0/s1
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44n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273855
PNG
(2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-[4-(hydroxy...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(CO)cc1)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C19H19FN2O2S/c1-12(14-5-9-16(20)10-6-14)21-18-22-17(24)19(2,25-18)15-7-3-13(11-23)4-8-15/h3-10,12,23H,11H2,1-2H3,(H,21,22,24)/t12-,19?/m0/s1
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46n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273858
PNG
(2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-(1-hydroxyc...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C1(O)CCC1)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C16H19FN2O2S/c1-10(11-4-6-12(17)7-5-11)18-14-19-13(20)15(2,22-14)16(21)8-3-9-16/h4-7,10,21H,3,8-9H2,1-2H3,(H,18,19,20)/t10-,15?/m0/s1
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49n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273824
PNG
(3-(4-{2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-methy...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(CCC(N)=O)cc1)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C21H22FN3O2S/c1-13(15-6-10-17(22)11-7-15)24-20-25-19(27)21(2,28-20)16-8-3-14(4-9-16)5-12-18(23)26/h3-4,6-11,13H,5,12H2,1-2H3,(H2,23,26)(H,24,25,27)/t13-,21?/m0/s1
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60n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273857
PNG
(2-((S)-1-(4-fluorophenyl)ethylamino)-5-(2-hydroxyp...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15?/m0/s1
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65n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273451
PNG
(4-{2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-methyl-4...)
Show SMILES CNC(=O)c1ccc(cc1)C1(C)SC(N[C@@H](C)c2ccc(F)cc2)=NC1=O |r,c:25|
Show InChI InChI=1S/C20H20FN3O2S/c1-12(13-6-10-16(21)11-7-13)23-19-24-18(26)20(2,27-19)15-8-4-14(5-9-15)17(25)22-3/h4-12H,1-3H3,(H,22,25)(H,23,24,26)/t12-,20?/m0/s1
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76n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273827
PNG
(2-{(S)-[1-(4-fluorophenyl)ethyl]amino}-5-[4-(2-hyd...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(CCO)cc1)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C20H21FN2O2S/c1-13(15-5-9-17(21)10-6-15)22-19-23-18(25)20(2,26-19)16-7-3-14(4-8-16)11-12-24/h3-10,13,24H,11-12H2,1-2H3,(H,22,23,25)/t13-,20?/m0/s1
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79n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273823
PNG
(2-(4-{2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-methy...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C(C)(C)C(N)=O)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C22H24FN3O2S/c1-13(14-5-11-17(23)12-6-14)25-20-26-19(28)22(4,29-20)16-9-7-15(8-10-16)21(2,3)18(24)27/h5-13H,1-4H3,(H2,24,27)(H,25,26,28)/t13-,22?/m0/s1
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83n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273453
PNG
(2-(4-{2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-methy...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(CC(N)=O)cc1)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C20H20FN3O2S/c1-12(14-5-9-16(21)10-6-14)23-19-24-18(26)20(2,27-19)15-7-3-13(4-8-15)11-17(22)25/h3-10,12H,11H2,1-2H3,(H2,22,25)(H,23,24,26)/t12-,20?/m0/s1
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84n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50273458
PNG
((5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-...)
Show SMILES C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1
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100n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273404
PNG
(5-(2-Hydroxypropan-2-yl)-5-methyl-2-[(S)-1-phenyle...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccccc1 |r,t:3|
Show InChI InChI=1S/C15H20N2O2S/c1-10(11-8-6-5-7-9-11)16-13-17-12(18)15(4,20-13)14(2,3)19/h5-10,19H,1-4H3,(H,16,17,18)/t10-,15?/m0/s1
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100n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273403
PNG
(2-[(S)-1-(4-Chlorophenyl)ethylamino]-5-(3-hydroxyp...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccc(Cl)cc1 |r,t:3|
Show InChI InChI=1S/C15H19ClN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15?/m0/s1
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110n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273450
PNG
(CHEMBL509257 | N-Cyclopentyl-4-{2-[(S)-1-(4-fluoro...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C(=O)NC1CCCC1)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C24H26FN3O2S/c1-15(16-9-13-19(25)14-10-16)26-23-28-22(30)24(2,31-23)18-11-7-17(8-12-18)21(29)27-20-5-3-4-6-20/h7-15,20H,3-6H2,1-2H3,(H,27,29)(H,26,28,30)/t15-,24?/m0/s1
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120n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273402
PNG
(5-(2-Hydroxypropan-2-yl)-5-methyl-2-[(S)-1-p-tolyl...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccc(C)cc1 |r,t:3|
Show InChI InChI=1S/C16H22N2O2S/c1-10-6-8-12(9-7-10)11(2)17-14-18-13(19)16(5,21-14)15(3,4)20/h6-9,11,20H,1-5H3,(H,17,18,19)/t11-,16?/m0/s1
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130n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273401
PNG
(2-[(S)-1-(4-Bromophenyl)ethylamino]-5-(2-hydroxypr...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccc(Br)cc1 |r,t:3|
Show InChI InChI=1S/C15H19BrN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15?/m0/s1
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210n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273457
PNG
((R)-2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-(2-hydr...)
Show SMILES C[C@H](NC1=NC(=O)[C@](C)(S1)C(C)(C)O)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15-/m0/s1
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210n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273405
PNG
(2-[(S)-1-(3-Fluorophenyl)ethylamino]-5-(2-hydroxyp...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1cccc(F)c1 |r,t:3|
Show InChI InChI=1S/C15H19FN2O2S/c1-9(10-6-5-7-11(16)8-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15?/m0/s1
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220n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273826
PNG
(2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-[4-(2-hydro...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C(C)(C)O)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C21H23FN2O2S/c1-13(14-5-11-17(22)12-6-14)23-19-24-18(25)21(4,27-19)16-9-7-15(8-10-16)20(2,3)26/h5-13,26H,1-4H3,(H,23,24,25)/t13-,21?/m0/s1
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220n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273449
PNG
(CHEMBL455894 | N-Cyclopropyl-4-{2-[(S)-1-(4-fluoro...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C(=O)NC1CC1)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C22H22FN3O2S/c1-13(14-5-9-17(23)10-6-14)24-21-26-20(28)22(2,29-21)16-7-3-15(4-8-16)19(27)25-18-11-12-18/h3-10,13,18H,11-12H2,1-2H3,(H,25,27)(H,24,26,28)/t13-,22?/m0/s1
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240n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273856
PNG
(2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-(2-hydroxy-...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(CC(C)(C)O)S1)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C16H21FN2O2S/c1-10(11-5-7-12(17)8-6-11)18-14-19-13(20)16(4,22-14)9-15(2,3)21/h5-8,10,21H,9H2,1-4H3,(H,18,19,20)/t10-,16?/m0/s1
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290n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50273458
PNG
((5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-...)
Show SMILES C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1
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300n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273400
PNG
(2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-methyl-5-[4...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C(=O)N1CCOCC1)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C23H24FN3O3S/c1-15(16-5-9-19(24)10-6-16)25-22-26-21(29)23(2,31-22)18-7-3-17(4-8-18)20(28)27-11-13-30-14-12-27/h3-10,15H,11-14H2,1-2H3,(H,25,26,29)/t15-,23?/m0/s1
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330n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273399
PNG
(4-({2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-methyl-...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(Cc2ccc(cc2)C(N)=O)S1)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C20H20FN3O2S/c1-12(14-7-9-16(21)10-8-14)23-19-24-18(26)20(2,27-19)11-13-3-5-15(6-4-13)17(22)25/h3-10,12H,11H2,1-2H3,(H2,22,25)(H,23,24,26)/t12-,20?/m0/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273397
PNG
(4-{2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-methyl-4...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C(O)=O)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C19H17FN2O3S/c1-11(12-5-9-15(20)10-6-12)21-18-22-17(25)19(2,26-18)14-7-3-13(4-8-14)16(23)24/h3-11H,1-2H3,(H,23,24)(H,21,22,25)/t11-,19?/m0/s1
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3.50E+3n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273860
PNG
(4-{(S)-1-[5-(2-Hydroxypropan-2-yl)-5-methyl-4-oxo-...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccc(cc1)C#N |r,t:3|
Show InChI InChI=1S/C16H19N3O2S/c1-10(12-7-5-11(9-17)6-8-12)18-14-19-13(20)16(4,22-14)15(2,3)21/h5-8,10,21H,1-4H3,(H,18,19,20)/t10-,16?/m0/s1
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6.50E+3n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50105327
PNG
(JNJ-26481585 | QUISINOSTAT | Quisinostat)
Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)
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n/an/a 0.110n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC1 expressed in baculovirus infected Sf9 cells using RHKK-Ac as substrate by fluorescence analysis


J Med Chem 59: 8967-9004 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00908
BindingDB Entry DOI: 10.7270/Q2KP8448
More data for this
Ligand-Target Pair
Phosphodiesterase 6C (PDE6C)


(Homo sapiens (Human))
BDBM50196772
PNG
(CHEMBL3936651)
Show SMILES CCOc1ccc(OC2CCN(CC2)c2ncc(cn2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1
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n/an/a 0.130n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST tagged PDE6C (unknown origin) expressed in baculovirus infected Sf9 cells using cGMP as substrate by malachi...


J Med Chem 59: 8967-9004 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00908
BindingDB Entry DOI: 10.7270/Q2KP8448
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM28365
PNG
(CHEMBL512355 | N-[4-(2-cyanoethyl)cyclohexyl]-N-cy...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CCC#N)CC1)C(F)(F)F |r,wU:15.16,1.0,wD:18.20,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,.74,;4.51,-.03,;-2.16,.73,;-3.49,1.5,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
Show InChI InChI=1S/C22H27F3N2O2/c1-21(29,22(23,24)25)17-8-6-16(7-9-17)20(28)27(19-12-13-19)18-10-4-15(5-11-18)3-2-14-26/h6-9,15,18-19,29H,2-5,10-13H2,1H3/t15-,18-,21-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes


J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50105327
PNG
(JNJ-26481585 | QUISINOSTAT | Quisinostat)
Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)
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n/an/a 0.330n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus infected Sf9 cells using RHKK-Ac as substrate by fluorescence analysis


J Med Chem 59: 8967-9004 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00908
BindingDB Entry DOI: 10.7270/Q2KP8448
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50248471
PNG
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-...)
Show SMILES C[C@@H]1CN(CC2(CC2)c2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
Show InChI InChI=1S/C23H28F3N3O3S/c1-17-15-28(16-22(9-10-22)19-7-11-27-12-8-19)13-14-29(17)33(31,32)20-5-3-18(4-6-20)21(2,30)23(24,25)26/h3-8,11-12,17,30H,9-10,13-16H2,1-2H3/t17-,21?/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co...


Bioorg Med Chem Lett 19: 1522-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50334681
PNG
(((1R)-4-(N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hy...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](COC(N)=O)(CC1)c1ccc(F)cc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(.46,-29.77,;1.79,-28.99,;.3,-28.6,;3.13,-29.75,;4.46,-28.98,;5.8,-29.75,;5.79,-31.29,;4.47,-32.06,;3.14,-31.3,;7.13,-32.05,;7.14,-33.59,;8.46,-31.28,;8.46,-29.74,;9.23,-28.41,;7.69,-28.41,;9.8,-32.04,;11.13,-31.27,;12.46,-32.04,;12.46,-33.59,;13.89,-33.03,;15.1,-33.99,;16.53,-33.42,;17.74,-34.39,;16.76,-31.9,;11.13,-34.35,;9.8,-33.59,;13.22,-34.92,;12.44,-36.24,;13.2,-37.57,;14.73,-37.58,;15.49,-38.92,;15.5,-36.25,;14.74,-34.92,;1.78,-27.45,;3.11,-26.67,;.44,-26.68,;1.38,-25.96,)|
Show InChI InChI=1S/C27H30F4N2O4/c1-25(36,27(29,30)31)18-4-2-17(3-5-18)23(34)33(21-10-11-21)22-12-14-26(15-13-22,16-37-24(32)35)19-6-8-20(28)9-7-19/h2-9,21-22,36H,10-16H2,1H3,(H2,32,35)/t22-,25-,26-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human full length 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.129
BindingDB Entry DOI: 10.7270/Q2K937SB
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50196760
PNG
(CHEMBL3954968)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCC(CCC(=O)NO)CC1
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n/an/a 0.5n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...


J Med Chem 59: 8967-9004 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00908
BindingDB Entry DOI: 10.7270/Q2KP8448
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50248519
PNG
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-...)
Show SMILES C[C@@H]1CN(CC2(CCC2)c2cccnc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
Show InChI InChI=1S/C24H30F3N3O3S/c1-18-16-29(17-23(10-4-11-23)20-5-3-12-28-15-20)13-14-30(18)34(32,33)21-8-6-19(7-9-21)22(2,31)24(25,26)27/h3,5-9,12,15,18,31H,4,10-11,13-14,16-17H2,1-2H3/t18-,22?/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co...


Bioorg Med Chem Lett 19: 1522-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50248472
PNG
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-...)
Show SMILES C[C@@H]1CN(CC2(CC2)c2cccnc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
Show InChI InChI=1S/C23H28F3N3O3S/c1-17-15-28(16-22(9-10-22)19-4-3-11-27-14-19)12-13-29(17)33(31,32)20-7-5-18(6-8-20)21(2,30)23(24,25)26/h3-8,11,14,17,30H,9-10,12-13,15-16H2,1-2H3/t17-,21?/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co...


Bioorg Med Chem Lett 19: 1522-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM28369
PNG
(N-{4-[(1-cyanocyclopropyl)methyl]cyclohexyl}-N-cyc...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CC2(CC2)C#N)CC1)C(F)(F)F |r,wU:15.16,1.0,wD:18.20,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;.51,.73,;1.84,1.51,;1.07,2.84,;2.61,2.84,;3.18,.74,;4.51,-.03,;-2.16,.73,;-3.49,1.5,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
Show InChI InChI=1S/C24H29F3N2O2/c1-22(31,24(25,26)27)18-6-4-17(5-7-18)21(30)29(20-10-11-20)19-8-2-16(3-9-19)14-23(15-28)12-13-23/h4-7,16,19-20,31H,2-3,8-14H2,1H3/t16-,19-,22-/m0/s1
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n/an/a 0.600n/an/an/an/a7.522



Amgen



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...


Bioorg Med Chem Lett 19: 1797-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.058
BindingDB Entry DOI: 10.7270/Q2FB5180
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50248518
PNG
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-...)
Show SMILES C[C@@H]1CN(CC2(CCC2)c2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
Show InChI InChI=1S/C24H30F3N3O3S/c1-18-16-29(17-23(10-3-11-23)20-8-12-28-13-9-20)14-15-30(18)34(32,33)21-6-4-19(5-7-21)22(2,31)24(25,26)27/h4-9,12-13,18,31H,3,10-11,14-17H2,1-2H3/t18-,22?/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co...


Bioorg Med Chem Lett 19: 1522-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50331363
PNG
((S)-3'-cyclopropyl-4'-(4-(1,1,1-trifluoro-2-hydrox...)
Show SMILES C[C@](O)(c1ccc(cc1)S(=O)(=O)c1ccc(cc1C1CC1)-c1ccc(cc1)C#N)C(F)(F)F |r|
Show InChI InChI=1S/C25H20F3NO3S/c1-24(30,25(26,27)28)20-9-11-21(12-10-20)33(31,32)23-13-8-19(14-22(23)18-6-7-18)17-4-2-16(15-29)3-5-17/h2-5,8-14,18,30H,6-7H2,1H3/t24-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by scintillation proximity assay


Bioorg Med Chem Lett 20: 7071-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.097
BindingDB Entry DOI: 10.7270/Q21G0MHX
More data for this
Ligand-Target Pair
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