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PubMed code 24900270

Compile data set for download or QSAR
Found 22 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))
BDBM50382388
PNG
(CHEMBL2023973)
Show SMILES CC(=C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16|
Show InChI InChI=1S/C14H20N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h9-11H,1,4-7H2,2-3H3,(H,15,16,17)/t9-,10+,11+,14+/m1/s1
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PubMed
6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319665
PNG
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16|
Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14+/m1/s1
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12.8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50382382
PNG
(CHEMBL2023966)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@H]3C[C@@H]2C[C@@H]3O)=NC1=O |r,c:17|
Show InChI InChI=1S/C14H22N2O2S/c1-7(2)14(3)12(18)16-13(19-14)15-10-5-9-4-8(10)6-11(9)17/h7-11,17H,4-6H2,1-3H3,(H,15,16,18)/t8-,9-,10+,11+,14+/m1/s1
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16.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50382387
PNG
(CHEMBL2023972)
Show SMILES CC(O)(O)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:17|
Show InChI InChI=1S/C13H20N2O3S/c1-12(13(2,17)18)10(16)15-11(19-12)14-9-6-7-3-4-8(9)5-7/h7-9,17-18H,3-6H2,1-2H3,(H,14,15,16)/t7-,8+,9+,12-/m1/s1
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17.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50382383
PNG
(CHEMBL2023967)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@H]3C[C@@H]2C[C@H]3O)=NC1=O |r,c:17|
Show InChI InChI=1S/C14H22N2O2S/c1-7(2)14(3)12(18)16-13(19-14)15-10-5-9-4-8(10)6-11(9)17/h7-11,17H,4-6H2,1-3H3,(H,15,16,18)/t8-,9-,10+,11-,14+/m1/s1
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17.9n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50382389
PNG
(CHEMBL2023968)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@H]3C[C@@H]2CC3=O)=NC1=O |r,c:17|
Show InChI InChI=1S/C14H20N2O2S/c1-7(2)14(3)12(18)16-13(19-14)15-10-5-9-4-8(10)6-11(9)17/h7-10H,4-6H2,1-3H3,(H,15,16,18)/t8-,9-,10+,14+/m1/s1
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23.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50382386
PNG
(CHEMBL2023971)
Show SMILES C[C@]1(SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O)[C@H](O)CO |r,c:13|
Show InChI InChI=1S/C13H20N2O3S/c1-13(10(17)6-16)11(18)15-12(19-13)14-9-5-7-2-3-8(9)4-7/h7-10,16-17H,2-6H2,1H3,(H,14,15,18)/t7-,8+,9+,10-,13+/m1/s1
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27n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50382385
PNG
(CHEMBL2023970)
Show SMILES C[C@]1(SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O)[C@@H](O)CO |r,c:13|
Show InChI InChI=1S/C13H20N2O3S/c1-13(10(17)6-16)11(18)15-12(19-13)14-9-5-7-2-3-8(9)4-7/h7-10,16-17H,2-6H2,1H3,(H,14,15,18)/t7-,8+,9+,10+,13+/m1/s1
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37.3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50319665
PNG
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16|
Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14+/m1/s1
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70.8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50382382
PNG
(CHEMBL2023966)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@H]3C[C@@H]2C[C@@H]3O)=NC1=O |r,c:17|
Show InChI InChI=1S/C14H22N2O2S/c1-7(2)14(3)12(18)16-13(19-14)15-10-5-9-4-8(10)6-11(9)17/h7-11,17H,4-6H2,1-3H3,(H,15,16,18)/t8-,9-,10+,11+,14+/m1/s1
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152n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50382383
PNG
(CHEMBL2023967)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@H]3C[C@@H]2C[C@H]3O)=NC1=O |r,c:17|
Show InChI InChI=1S/C14H22N2O2S/c1-7(2)14(3)12(18)16-13(19-14)15-10-5-9-4-8(10)6-11(9)17/h7-11,17H,4-6H2,1-3H3,(H,15,16,18)/t8-,9-,10+,11-,14+/m1/s1
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181n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50382389
PNG
(CHEMBL2023968)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@H]3C[C@@H]2CC3=O)=NC1=O |r,c:17|
Show InChI InChI=1S/C14H20N2O2S/c1-7(2)14(3)12(18)16-13(19-14)15-10-5-9-4-8(10)6-11(9)17/h7-10H,4-6H2,1-3H3,(H,15,16,18)/t8-,9-,10+,14+/m1/s1
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230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50382384
PNG
(CHEMBL2023969)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3C[C@@H](O)[C@H]2C3)=NC1=O |r,c:17|
Show InChI InChI=1S/C14H22N2O2S/c1-7(2)14(3)12(18)16-13(19-14)15-10-5-8-4-9(10)11(17)6-8/h7-11,17H,4-6H2,1-3H3,(H,15,16,18)/t8-,9+,10+,11-,14+/m1/s1
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449n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319665
PNG
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16|
Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14+/m1/s1
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n/an/a 10.1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50382389
PNG
(CHEMBL2023968)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@H]3C[C@@H]2CC3=O)=NC1=O |r,c:17|
Show InChI InChI=1S/C14H20N2O2S/c1-7(2)14(3)12(18)16-13(19-14)15-10-5-9-4-8(10)6-11(9)17/h7-10H,4-6H2,1-3H3,(H,15,16,18)/t8-,9-,10+,14+/m1/s1
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n/an/a 10.2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50382382
PNG
(CHEMBL2023966)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@H]3C[C@@H]2C[C@@H]3O)=NC1=O |r,c:17|
Show InChI InChI=1S/C14H22N2O2S/c1-7(2)14(3)12(18)16-13(19-14)15-10-5-9-4-8(10)6-11(9)17/h7-11,17H,4-6H2,1-3H3,(H,15,16,18)/t8-,9-,10+,11+,14+/m1/s1
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n/an/a 12.7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50382383
PNG
(CHEMBL2023967)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@H]3C[C@@H]2C[C@H]3O)=NC1=O |r,c:17|
Show InChI InChI=1S/C14H22N2O2S/c1-7(2)14(3)12(18)16-13(19-14)15-10-5-9-4-8(10)6-11(9)17/h7-11,17H,4-6H2,1-3H3,(H,15,16,18)/t8-,9-,10+,11-,14+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50382388
PNG
(CHEMBL2023973)
Show SMILES CC(=C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16|
Show InChI InChI=1S/C14H20N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h9-11H,1,4-7H2,2-3H3,(H,15,16,17)/t9-,10+,11+,14+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50382387
PNG
(CHEMBL2023972)
Show SMILES CC(O)(O)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:17|
Show InChI InChI=1S/C13H20N2O3S/c1-12(13(2,17)18)10(16)15-11(19-12)14-9-6-7-3-4-8(9)5-7/h7-9,17-18H,3-6H2,1-2H3,(H,14,15,16)/t7-,8+,9+,12-/m1/s1
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Article
PubMed
n/an/a 21.3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50382385
PNG
(CHEMBL2023970)
Show SMILES C[C@]1(SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O)[C@@H](O)CO |r,c:13|
Show InChI InChI=1S/C13H20N2O3S/c1-13(10(17)6-16)11(18)15-12(19-13)14-9-5-7-2-3-8(9)4-7/h7-10,16-17H,2-6H2,1H3,(H,14,15,18)/t7-,8+,9+,10+,13+/m1/s1
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UniChem

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Article
PubMed
n/an/a 71.6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50382386
PNG
(CHEMBL2023971)
Show SMILES C[C@]1(SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O)[C@H](O)CO |r,c:13|
Show InChI InChI=1S/C13H20N2O3S/c1-13(10(17)6-16)11(18)15-12(19-13)14-9-5-7-2-3-8(9)4-7/h7-10,16-17H,2-6H2,1H3,(H,14,15,18)/t7-,8+,9+,10-,13+/m1/s1
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UniChem

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Article
PubMed
n/an/a 87n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50382384
PNG
(CHEMBL2023969)
Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3C[C@@H](O)[C@H]2C3)=NC1=O |r,c:17|
Show InChI InChI=1S/C14H22N2O2S/c1-7(2)14(3)12(18)16-13(19-14)15-10-5-8-4-9(10)11(17)6-8/h7-11,17H,4-6H2,1-3H3,(H,15,16,18)/t8-,9+,10+,11-,14+/m1/s1
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PC sid
UniChem

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Article
PubMed
n/an/a 237n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells


ACS Med Chem Lett 2: 824-827 (2011)


Article DOI: 10.1021/ml2001467
BindingDB Entry DOI: 10.7270/Q22N539Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%