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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 = 'BDBM50195494'   
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))
BDBM50195494
PNG
((4-amino-3,5-dichlorophenyl)(5-benzyl-1,5-diazocan...)
Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N1CCCN(Cc2ccccc2)CCC1
Show InChI InChI=1S/C20H23Cl2N3O/c21-17-12-16(13-18(22)19(17)23)20(26)25-10-4-8-24(9-5-11-25)14-15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,14,23H2
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Article
PubMed
53n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli by SPA


Bioorg Med Chem Lett 16: 6241-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Rattus norvegicus (rat))
BDBM50195494
PNG
((4-amino-3,5-dichlorophenyl)(5-benzyl-1,5-diazocan...)
Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N1CCCN(Cc2ccccc2)CCC1
Show InChI InChI=1S/C20H23Cl2N3O/c21-17-12-16(13-18(22)19(17)23)20(26)25-10-4-8-24(9-5-11-25)14-15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,14,23H2
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Article
PubMed
210n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Bioorg Med Chem Lett 16: 6241-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50195494
PNG
((4-amino-3,5-dichlorophenyl)(5-benzyl-1,5-diazocan...)
Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N1CCCN(Cc2ccccc2)CCC1
Show InChI InChI=1S/C20H23Cl2N3O/c21-17-12-16(13-18(22)19(17)23)20(26)25-10-4-8-24(9-5-11-25)14-15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,14,23H2
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 960n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by fluorescence polarization immuno-assay


Bioorg Med Chem Lett 16: 6241-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4
More data for this
Ligand-Target Pair