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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM29864'   
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))
BDBM29864
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 26)
Show SMILES Nc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
Show InChI InChI=1S/C18H14N4O2S/c19-12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)25(23,24)22-18-3-1-2-17(20)21-18/h1-11H,(H3,20,21,22)
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PubMed
<1<-50.9n/an/an/an/an/a8.022



Pfizer



Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit...


Bioorg Med Chem Lett 19: 3493-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29864
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 26)
Show SMILES Nc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
Show InChI InChI=1S/C18H14N4O2S/c19-12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)25(23,24)22-18-3-1-2-17(20)21-18/h1-11H,(H3,20,21,22)
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Article
PubMed
280n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) using cortisol a...


J Med Chem 62: 6925-6940 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00187
BindingDB Entry DOI: 10.7270/Q23R0X43
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29864
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 26)
Show SMILES Nc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
Show InChI InChI=1S/C18H14N4O2S/c19-12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)25(23,24)22-18-3-1-2-17(20)21-18/h1-11H,(H3,20,21,22)
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PubMed
n/an/a 2.07E+3n/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) using cortisol a...


J Med Chem 62: 6925-6940 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00187
BindingDB Entry DOI: 10.7270/Q23R0X43
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM29864
PNG
(N-(Pyridin-2-yl) arylsulfonamide, 26)
Show SMILES Nc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
Show InChI InChI=1S/C18H14N4O2S/c19-12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)25(23,24)22-18-3-1-2-17(20)21-18/h1-11H,(H3,20,21,22)
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Article
PubMed
n/an/an/an/a 5n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human HEK293 cells


Bioorg Med Chem Lett 23: 2344-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.066
BindingDB Entry DOI: 10.7270/Q29P3314
More data for this
Ligand-Target Pair