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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 = 'BDBM50315878'   
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))
BDBM50315878
PNG
(2,5-bis(3-bromobenzylidene)cyclopentanone | CHEMBL...)
Show SMILES Brc1cccc(\C=C2/CC\C(=C/c3cccc(Br)c3)C2=O)c1
Show InChI InChI=1S/C19H14Br2O/c20-17-5-1-3-13(11-17)9-15-7-8-16(19(15)22)10-14-4-2-6-18(21)12-14/h1-6,9-12H,7-8H2/b15-9+,16-10+
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Article
PubMed
n/an/a 97n/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 transfected in CHOP cells


Bioorg Med Chem Lett 23: 4362-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.080
BindingDB Entry DOI: 10.7270/Q27D2WJM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Rattus norvegicus (rat))
BDBM50315878
PNG
(2,5-bis(3-bromobenzylidene)cyclopentanone | CHEMBL...)
Show SMILES Brc1cccc(\C=C2/CC\C(=C/c3cccc(Br)c3)C2=O)c1
Show InChI InChI=1S/C19H14Br2O/c20-17-5-1-3-13(11-17)9-15-7-8-16(19(15)22)10-14-4-2-6-18(21)12-14/h1-6,9-12H,7-8H2/b15-9+,16-10+
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n/an/a 599n/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in rat testis microsomes using [3H]-11-DHC as substrate assessed as formation of CORT after 60 to 90 mins by radiometric an...


Bioorg Med Chem Lett 23: 4362-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.080
BindingDB Entry DOI: 10.7270/Q27D2WJM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Rattus norvegicus (rat))
BDBM50315878
PNG
(2,5-bis(3-bromobenzylidene)cyclopentanone | CHEMBL...)
Show SMILES Brc1cccc(\C=C2/CC\C(=C/c3cccc(Br)c3)C2=O)c1
Show InChI InChI=1S/C19H14Br2O/c20-17-5-1-3-13(11-17)9-15-7-8-16(19(15)22)10-14-4-2-6-18(21)12-14/h1-6,9-12H,7-8H2/b15-9+,16-10+
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PubMed
n/an/a 1.15E+3n/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in Sprague-Dawley rat leydig cells at 100 uM


Bioorg Med Chem Lett 23: 4362-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.080
BindingDB Entry DOI: 10.7270/Q27D2WJM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50315878
PNG
(2,5-bis(3-bromobenzylidene)cyclopentanone | CHEMBL...)
Show SMILES Brc1cccc(\C=C2/CC\C(=C/c3cccc(Br)c3)C2=O)c1
Show InChI InChI=1S/C19H14Br2O/c20-17-5-1-3-13(11-17)9-15-7-8-16(19(15)22)10-14-4-2-6-18(21)12-14/h1-6,9-12H,7-8H2/b15-9+,16-10+
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Article
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n/an/a 3.51E+3n/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using [3H]-cortisone as substrate assessed as formation of cortisol after 60 to 90 mins by radiom...


Bioorg Med Chem Lett 23: 4362-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.080
BindingDB Entry DOI: 10.7270/Q27D2WJM
More data for this
Ligand-Target Pair