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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50317217'   
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))
BDBM50317217
PNG
((2R)-N-(adamantan-2-yl)-1-(2,2,2-trifluoroethyl)py...)
Show SMILES FC(F)(F)CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C17H25F3N2O/c18-17(19,20)9-22-3-1-2-14(22)16(23)21-15-12-5-10-4-11(7-12)8-13(15)6-10/h10-15H,1-9H2,(H,21,23)/t10?,11?,12?,13?,14-,15?/m1/s1
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1


Bioorg Med Chem Lett 20: 2897-902 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50317217
PNG
((2R)-N-(adamantan-2-yl)-1-(2,2,2-trifluoroethyl)py...)
Show SMILES FC(F)(F)CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C17H25F3N2O/c18-17(19,20)9-22-3-1-2-14(22)16(23)21-15-12-5-10-4-11(7-12)8-13(15)6-10/h10-15H,1-9H2,(H,21,23)/t10?,11?,12?,13?,14-,15?/m1/s1
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35.2n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11-beta-HSD1


Bioorg Med Chem Lett 20: 2897-902 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50317217
PNG
((2R)-N-(adamantan-2-yl)-1-(2,2,2-trifluoroethyl)py...)
Show SMILES FC(F)(F)CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C17H25F3N2O/c18-17(19,20)9-22-3-1-2-14(22)16(23)21-15-12-5-10-4-11(7-12)8-13(15)6-10/h10-15H,1-9H2,(H,21,23)/t10?,11?,12?,13?,14-,15?/m1/s1
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Article
PubMed
n/an/a 0.320n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 expressed in HEK293 cells co-transfected with GRE-luciferase after 6 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2897-902 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ
More data for this
Ligand-Target Pair