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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 = 'BDBM50192686'   
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))
BDBM50192686
PNG
(4-(2-(4-chlorophenoxy)-2-methylpropanamido)bicyclo...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)NC12CCC(CC1)(CC2)C(N)=O
Show InChI InChI=1S/C19H25ClN2O3/c1-17(2,25-14-5-3-13(20)4-6-14)16(24)22-19-10-7-18(8-11-19,9-12-19)15(21)23/h3-6H,7-12H2,1-2H3,(H2,21,23)(H,22,24)
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n/an/a 12.9n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1


Bioorg Med Chem Lett 18: 2479-90 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.042
BindingDB Entry DOI: 10.7270/Q2QC04Q0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50192686
PNG
(4-(2-(4-chlorophenoxy)-2-methylpropanamido)bicyclo...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)NC12CCC(CC1)(CC2)C(N)=O
Show InChI InChI=1S/C19H25ClN2O3/c1-17(2,25-14-5-3-13(20)4-6-14)16(24)22-19-10-7-18(8-11-19,9-12-19)15(21)23/h3-6H,7-12H2,1-2H3,(H2,21,23)(H,22,24)
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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 16: 5408-13 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50192686
PNG
(4-(2-(4-chlorophenoxy)-2-methylpropanamido)bicyclo...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)NC12CCC(CC1)(CC2)C(N)=O
Show InChI InChI=1S/C19H25ClN2O3/c1-17(2,25-14-5-3-13(20)4-6-14)16(24)22-19-10-7-18(8-11-19,9-12-19)15(21)23/h3-6H,7-12H2,1-2H3,(H2,21,23)(H,22,24)
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n/an/a 28n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 16: 5408-13 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50192686
PNG
(4-(2-(4-chlorophenoxy)-2-methylpropanamido)bicyclo...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)NC12CCC(CC1)(CC2)C(N)=O
Show InChI InChI=1S/C19H25ClN2O3/c1-17(2,25-14-5-3-13(20)4-6-14)16(24)22-19-10-7-18(8-11-19,9-12-19)15(21)23/h3-6H,7-12H2,1-2H3,(H2,21,23)(H,22,24)
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n/an/a 450n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5408-13 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS
More data for this
Ligand-Target Pair