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Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'ferraro' and Initial = 'ca'   
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))
BDBM50356439
PNG
(CHEMBL1911707)
Show SMILES Fc1ccc2c(C#N)c(=O)[nH]c(SCc3ccccc3Cl)c2c1
Show InChI InChI=1S/C17H10ClFN2OS/c18-15-4-2-1-3-10(15)9-23-17-13-7-11(19)5-6-12(13)14(8-20)16(22)21-17/h1-7H,9H2,(H,21,22)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356451
PNG
(CHEMBL1911695)
Show SMILES Clc1ccccc1COc1[nH]c(=O)c(C#N)c2CCCCc12
Show InChI InChI=1S/C17H15ClN2O2/c18-15-8-4-1-5-11(15)10-22-17-13-7-3-2-6-12(13)14(9-19)16(21)20-17/h1,4-5,8H,2-3,6-7,10H2,(H,20,21)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356461
PNG
(CHEMBL1911688)
Show SMILES Clc1cccc(Cl)c1CSc1[nH]c(=O)c(C#N)c2CCCCc12
Show InChI InChI=1S/C17H14Cl2N2OS/c18-14-6-3-7-15(19)13(14)9-23-17-11-5-2-1-4-10(11)12(8-20)16(22)21-17/h3,6-7H,1-2,4-5,9H2,(H,21,22)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356449
PNG
(CHEMBL1911697)
Show SMILES O=c1[nH]c(SCc2cccnc2C#N)c2CCCCc2c1C#N
Show InChI InChI=1S/C17H14N4OS/c18-8-14-12-5-1-2-6-13(12)17(21-16(14)22)23-10-11-4-3-7-20-15(11)9-19/h3-4,7H,1-2,5-6,10H2,(H,21,22)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356444
PNG
(CHEMBL1911702)
Show SMILES Clc1ccccc1CSc1[nH]c(=O)c(C#N)c2ccccc12
Show InChI InChI=1S/C17H11ClN2OS/c18-15-8-4-1-5-11(15)10-22-17-13-7-3-2-6-12(13)14(9-19)16(21)20-17/h1-8H,10H2,(H,20,21)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356461
PNG
(CHEMBL1911688)
Show SMILES Clc1cccc(Cl)c1CSc1[nH]c(=O)c(C#N)c2CCCCc12
Show InChI InChI=1S/C17H14Cl2N2OS/c18-14-6-3-7-15(19)13(14)9-23-17-11-5-2-1-4-10(11)12(8-20)16(22)21-17/h3,6-7H,1-2,4-5,9H2,(H,21,22)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356435
PNG
(CHEMBL1911585)
Show SMILES Clc1ccccc1CSc1[nH]c(=O)c(C#N)c2CCCCc12
Show InChI InChI=1S/C17H15ClN2OS/c18-15-8-4-1-5-11(15)10-22-17-13-7-3-2-6-12(13)14(9-19)16(21)20-17/h1,4-5,8H,2-3,6-7,10H2,(H,20,21)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356448
PNG
(CHEMBL1911698)
Show SMILES O=c1[nH]c(SCc2ccccc2)c2CCc3ccccc3-c2c1C#N
Show InChI InChI=1S/C21H16N2OS/c22-12-18-19-16-9-5-4-8-15(16)10-11-17(19)21(23-20(18)24)25-13-14-6-2-1-3-7-14/h1-9H,10-11,13H2,(H,23,24)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356435
PNG
(CHEMBL1911585)
Show SMILES Clc1ccccc1CSc1[nH]c(=O)c(C#N)c2CCCCc12
Show InChI InChI=1S/C17H15ClN2OS/c18-15-8-4-1-5-11(15)10-22-17-13-7-3-2-6-12(13)14(9-19)16(21)20-17/h1,4-5,8H,2-3,6-7,10H2,(H,20,21)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356452
PNG
(CHEMBL1911694)
Show SMILES Clc1ccccc1CCSc1[nH]c(=O)c(C#N)c2CCCCc12
Show InChI InChI=1S/C18H17ClN2OS/c19-16-8-4-1-5-12(16)9-10-23-18-14-7-3-2-6-13(14)15(11-20)17(22)21-18/h1,4-5,8H,2-3,6-7,9-10H2,(H,21,22)
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356462
PNG
(CHEMBL1911592)
Show SMILES O=c1[nH]c(SCc2ccccc2C#N)c2CCCCc2c1C#N
Show InChI InChI=1S/C18H15N3OS/c19-9-12-5-1-2-6-13(12)11-23-18-15-8-4-3-7-14(15)16(10-20)17(22)21-18/h1-2,5-6H,3-4,7-8,11H2,(H,21,22)
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356451
PNG
(CHEMBL1911695)
Show SMILES Clc1ccccc1COc1[nH]c(=O)c(C#N)c2CCCCc12
Show InChI InChI=1S/C17H15ClN2O2/c18-15-8-4-1-5-11(15)10-22-17-13-7-3-2-6-12(13)14(9-19)16(21)20-17/h1,4-5,8H,2-3,6-7,10H2,(H,20,21)
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356442
PNG
(CHEMBL1911704)
Show SMILES Fc1cccc2c(C#N)c(=O)[nH]c(SCc3ccccc3Cl)c12
Show InChI InChI=1S/C17H10ClFN2OS/c18-13-6-2-1-4-10(13)9-23-17-15-11(5-3-7-14(15)19)12(8-20)16(22)21-17/h1-7H,9H2,(H,21,22)
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356439
PNG
(CHEMBL1911707)
Show SMILES Fc1ccc2c(C#N)c(=O)[nH]c(SCc3ccccc3Cl)c2c1
Show InChI InChI=1S/C17H10ClFN2OS/c18-15-4-2-1-3-10(15)9-23-17-13-7-11(19)5-6-12(13)14(8-20)16(22)21-17/h1-7H,9H2,(H,21,22)
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356443
PNG
(CHEMBL1911703)
Show SMILES Fc1cccc2c(SCc3ccccc3Cl)[nH]c(=O)c(C#N)c12
Show InChI InChI=1S/C17H10ClFN2OS/c18-13-6-2-1-4-10(13)9-23-17-11-5-3-7-14(19)15(11)12(8-20)16(22)21-17/h1-7H,9H2,(H,21,22)
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356462
PNG
(CHEMBL1911592)
Show SMILES O=c1[nH]c(SCc2ccccc2C#N)c2CCCCc2c1C#N
Show InChI InChI=1S/C18H15N3OS/c19-9-12-5-1-2-6-13(12)11-23-18-15-8-4-3-7-14(15)16(10-20)17(22)21-18/h1-2,5-6H,3-4,7-8,11H2,(H,21,22)
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356437
PNG
(CHEMBL1911709)
Show SMILES Fc1ccc2c(C#N)c(=O)[nH]c(OCc3ccccc3Cl)c2c1
Show InChI InChI=1S/C17H10ClFN2O2/c18-15-4-2-1-3-10(15)9-23-17-13-7-11(19)5-6-12(13)14(8-20)16(22)21-17/h1-7H,9H2,(H,21,22)
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Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356443
PNG
(CHEMBL1911703)
Show SMILES Fc1cccc2c(SCc3ccccc3Cl)[nH]c(=O)c(C#N)c12
Show InChI InChI=1S/C17H10ClFN2OS/c18-13-6-2-1-4-10(13)9-23-17-11-5-3-7-14(19)15(11)12(8-20)16(22)21-17/h1-7H,9H2,(H,21,22)
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Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356441
PNG
(CHEMBL1911705)
Show SMILES Fc1ccc2c(SCc3ccccc3Cl)[nH]c(=O)c(C#N)c2c1
Show InChI InChI=1S/C17H10ClFN2OS/c18-15-4-2-1-3-10(15)9-23-17-12-6-5-11(19)7-13(12)14(8-20)16(22)21-17/h1-7H,9H2,(H,21,22)
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356438
PNG
(CHEMBL1911708)
Show SMILES Fc1ccc2c(C#N)c(=O)[nH]c(SCc3cccnc3C#N)c2c1
Show InChI InChI=1S/C17H9FN4OS/c18-11-3-4-12-13(6-11)17(22-16(23)14(12)7-19)24-9-10-2-1-5-21-15(10)8-20/h1-6H,9H2,(H,22,23)
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356431
PNG
(CHEMBL1911589)
Show SMILES COc1ccccc1CSc1[nH]c(=O)c(C#N)c2CCCCc12
Show InChI InChI=1S/C18H18N2O2S/c1-22-16-9-5-2-6-12(16)11-23-18-14-8-4-3-7-13(14)15(10-19)17(21)20-18/h2,5-6,9H,3-4,7-8,11H2,1H3,(H,20,21)
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356450
PNG
(CHEMBL1911696)
Show SMILES O=c1[nH]c(SCC2CCC2)c2CCCCc2c1C#N
Show InChI InChI=1S/C15H18N2OS/c16-8-13-11-6-1-2-7-12(11)15(17-14(13)18)19-9-10-4-3-5-10/h10H,1-7,9H2,(H,17,18)
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356460
PNG
(CHEMBL1911689)
Show SMILES Fc1ccc(cc1CSc1[nH]c(=O)c(C#N)c2CCCCc12)C#N
Show InChI InChI=1S/C18H14FN3OS/c19-16-6-5-11(8-20)7-12(16)10-24-18-14-4-2-1-3-13(14)15(9-21)17(23)22-18/h5-7H,1-4,10H2,(H,22,23)
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356442
PNG
(CHEMBL1911704)
Show SMILES Fc1cccc2c(C#N)c(=O)[nH]c(SCc3ccccc3Cl)c12
Show InChI InChI=1S/C17H10ClFN2OS/c18-13-6-2-1-4-10(13)9-23-17-15-11(5-3-7-14(15)19)12(8-20)16(22)21-17/h1-7H,9H2,(H,21,22)
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356456
PNG
(CHEMBL1911693)
Show SMILES NC(=O)c1c2CCCCc2c(SCc2ccccc2Cl)[nH]c1=O
Show InChI InChI=1S/C17H17ClN2O2S/c18-13-8-4-1-5-10(13)9-23-17-12-7-3-2-6-11(12)14(15(19)21)16(22)20-17/h1,4-5,8H,2-3,6-7,9H2,(H2,19,21)(H,20,22)
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n/an/a>10n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356440
PNG
(CHEMBL1911706)
Show SMILES Clc1ccccc1CSc1[nH]c(=O)c(C#N)c2ccc(cc12)C#N
Show InChI InChI=1S/C18H10ClN3OS/c19-16-4-2-1-3-12(16)10-24-18-14-7-11(8-20)5-6-13(14)15(9-21)17(23)22-18/h1-7H,10H2,(H,22,23)
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356429
PNG
(CHEMBL1911591)
Show SMILES CS(=O)(=O)c1ccccc1CSc1[nH]c(=O)c(C#N)c2CCCCc12
Show InChI InChI=1S/C18H18N2O3S2/c1-25(22,23)16-9-5-2-6-12(16)11-24-18-14-8-4-3-7-13(14)15(10-19)17(21)20-18/h2,5-6,9H,3-4,7-8,11H2,1H3,(H,20,21)
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356449
PNG
(CHEMBL1911697)
Show SMILES O=c1[nH]c(SCc2cccnc2C#N)c2CCCCc2c1C#N
Show InChI InChI=1S/C17H14N4OS/c18-8-14-12-5-1-2-6-13(12)17(21-16(14)22)23-10-11-4-3-7-20-15(11)9-19/h3-4,7H,1-2,5-6,10H2,(H,21,22)
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356460
PNG
(CHEMBL1911689)
Show SMILES Fc1ccc(cc1CSc1[nH]c(=O)c(C#N)c2CCCCc12)C#N
Show InChI InChI=1S/C18H14FN3OS/c19-16-6-5-11(8-20)7-12(16)10-24-18-14-4-2-1-3-13(14)15(9-21)17(23)22-18/h5-7H,1-4,10H2,(H,22,23)
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356452
PNG
(CHEMBL1911694)
Show SMILES Clc1ccccc1CCSc1[nH]c(=O)c(C#N)c2CCCCc12
Show InChI InChI=1S/C18H17ClN2OS/c19-16-8-4-1-5-12(16)9-10-23-18-14-7-3-2-6-13(14)15(11-20)17(22)21-18/h1,4-5,8H,2-3,6-7,9-10H2,(H,21,22)
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356445
PNG
(CHEMBL1911701)
Show SMILES O=c1[nH]c(SCc2cccnc2C#N)c2COCCc2c1C#N
Show InChI InChI=1S/C16H12N4O2S/c17-6-12-11-3-5-22-8-13(11)16(20-15(12)21)23-9-10-2-1-4-19-14(10)7-18/h1-2,4H,3,5,8-9H2,(H,20,21)
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356446
PNG
(CHEMBL1911700)
Show SMILES Clc1ccccc1CSc1[nH]c(=O)c(C#N)c2CCOCc12
Show InChI InChI=1S/C16H13ClN2O2S/c17-14-4-2-1-3-10(14)9-22-16-13-8-21-6-5-11(13)12(7-18)15(20)19-16/h1-4H,5-6,8-9H2,(H,19,20)
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356441
PNG
(CHEMBL1911705)
Show SMILES Fc1ccc2c(SCc3ccccc3Cl)[nH]c(=O)c(C#N)c2c1
Show InChI InChI=1S/C17H10ClFN2OS/c18-15-4-2-1-3-10(15)9-23-17-12-6-5-11(19)7-13(12)14(8-20)16(22)21-17/h1-7H,9H2,(H,21,22)
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356434
PNG
(CHEMBL1911586)
Show SMILES O=c1[nH]c(SCc2ccccc2)c2CCCCc2c1C#N
Show InChI InChI=1S/C17H16N2OS/c18-10-15-13-8-4-5-9-14(13)17(19-16(15)20)21-11-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-9,11H2,(H,19,20)
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356433
PNG
(CHEMBL1911587)
Show SMILES Clc1cccc(CSc2[nH]c(=O)c(C#N)c3CCCCc23)c1
Show InChI InChI=1S/C17H15ClN2OS/c18-12-5-3-4-11(8-12)10-22-17-14-7-2-1-6-13(14)15(9-19)16(21)20-17/h3-5,8H,1-2,6-7,10H2,(H,20,21)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356434
PNG
(CHEMBL1911586)
Show SMILES O=c1[nH]c(SCc2ccccc2)c2CCCCc2c1C#N
Show InChI InChI=1S/C17H16N2OS/c18-10-15-13-8-4-5-9-14(13)17(19-16(15)20)21-11-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-9,11H2,(H,19,20)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356444
PNG
(CHEMBL1911702)
Show SMILES Clc1ccccc1CSc1[nH]c(=O)c(C#N)c2ccccc12
Show InChI InChI=1S/C17H11ClN2OS/c18-15-8-4-1-5-11(15)10-22-17-13-7-3-2-6-12(13)14(9-19)16(21)20-17/h1-8H,10H2,(H,20,21)
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356446
PNG
(CHEMBL1911700)
Show SMILES Clc1ccccc1CSc1[nH]c(=O)c(C#N)c2CCOCc12
Show InChI InChI=1S/C16H13ClN2O2S/c17-14-4-2-1-3-10(14)9-22-16-13-8-21-6-5-11(13)12(7-18)15(20)19-16/h1-4H,5-6,8-9H2,(H,19,20)
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n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356437
PNG
(CHEMBL1911709)
Show SMILES Fc1ccc2c(C#N)c(=O)[nH]c(OCc3ccccc3Cl)c2c1
Show InChI InChI=1S/C17H10ClFN2O2/c18-15-4-2-1-3-10(15)9-23-17-13-7-11(19)5-6-12(13)14(8-20)16(22)21-17/h1-7H,9H2,(H,21,22)
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n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356438
PNG
(CHEMBL1911708)
Show SMILES Fc1ccc2c(C#N)c(=O)[nH]c(SCc3cccnc3C#N)c2c1
Show InChI InChI=1S/C17H9FN4OS/c18-11-3-4-12-13(6-11)17(22-16(23)14(12)7-19)24-9-10-2-1-5-21-15(10)8-20/h1-6H,9H2,(H,22,23)
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356432
PNG
(CHEMBL1911588)
Show SMILES Clc1ccc(CSc2[nH]c(=O)c(C#N)c3CCCCc23)cc1
Show InChI InChI=1S/C17H15ClN2OS/c18-12-7-5-11(6-8-12)10-22-17-14-4-2-1-3-13(14)15(9-19)16(21)20-17/h5-8H,1-4,10H2,(H,20,21)
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356436
PNG
(CHEMBL1911584)
Show SMILES Clc1ccccc1CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C18H12ClN3OS/c19-15-9-5-4-8-13(15)11-24-18-21-16(12-6-2-1-3-7-12)14(10-20)17(23)22-18/h1-9H,11H2,(H,21,22,23)
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n/an/a 27n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356454
PNG
(CHEMBL1911687)
Show SMILES Clc1ccccc1Sc1[nH]c(=O)c(C#N)c2CCCCc12
Show InChI InChI=1S/C16H13ClN2OS/c17-13-7-3-4-8-14(13)21-16-11-6-2-1-5-10(11)12(9-18)15(20)19-16/h3-4,7-8H,1-2,5-6H2,(H,19,20)
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n/an/a 31n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356450
PNG
(CHEMBL1911696)
Show SMILES O=c1[nH]c(SCC2CCC2)c2CCCCc2c1C#N
Show InChI InChI=1S/C15H18N2OS/c16-8-13-11-6-1-2-7-12(11)15(17-14(13)18)19-9-10-4-3-5-10/h10H,1-7,9H2,(H,17,18)
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n/an/a 33n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356433
PNG
(CHEMBL1911587)
Show SMILES Clc1cccc(CSc2[nH]c(=O)c(C#N)c3CCCCc23)c1
Show InChI InChI=1S/C17H15ClN2OS/c18-12-5-3-4-11(8-12)10-22-17-14-7-2-1-6-13(14)15(9-19)16(21)20-17/h3-5,8H,1-2,6-7,10H2,(H,20,21)
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n/an/a 39n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356429
PNG
(CHEMBL1911591)
Show SMILES CS(=O)(=O)c1ccccc1CSc1[nH]c(=O)c(C#N)c2CCCCc12
Show InChI InChI=1S/C18H18N2O3S2/c1-25(22,23)16-9-5-2-6-12(16)11-24-18-14-8-4-3-7-13(14)15(10-19)17(21)20-18/h2,5-6,9H,3-4,7-8,11H2,1H3,(H,20,21)
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n/an/a 49n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356448
PNG
(CHEMBL1911698)
Show SMILES O=c1[nH]c(SCc2ccccc2)c2CCc3ccccc3-c2c1C#N
Show InChI InChI=1S/C21H16N2OS/c22-12-18-19-16-9-5-4-8-15(16)10-11-17(19)21(23-20(18)24)25-13-14-6-2-1-3-7-14/h1-9H,10-11,13H2,(H,23,24)
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n/an/a 50n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356436
PNG
(CHEMBL1911584)
Show SMILES Clc1ccccc1CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C18H12ClN3OS/c19-15-9-5-4-8-13(15)11-24-18-21-16(12-6-2-1-3-7-12)14(10-20)17(23)22-18/h1-9H,11H2,(H,21,22,23)
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n/an/a 58n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356440
PNG
(CHEMBL1911706)
Show SMILES Clc1ccccc1CSc1[nH]c(=O)c(C#N)c2ccc(cc12)C#N
Show InChI InChI=1S/C18H10ClN3OS/c19-16-4-2-1-3-12(16)10-24-18-14-7-11(8-20)5-6-13(14)15(9-21)17(23)22-18/h1-7H,10H2,(H,22,23)
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n/an/a 62n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356435
PNG
(CHEMBL1911585)
Show SMILES Clc1ccccc1CSc1[nH]c(=O)c(C#N)c2CCCCc12
Show InChI InChI=1S/C17H15ClN2OS/c18-15-8-4-1-5-11(15)10-22-17-13-7-3-2-6-12(13)14(9-19)16(21)20-17/h1,4-5,8H,2-3,6-7,10H2,(H,20,21)
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n/an/a 78n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human HEK cells


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
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