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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 = 'BDBM50195505'   
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))
BDBM50195505
PNG
(CHEMBL223506 | ethyl 2-((3R,5S)-4-(4-amino-3,5-dic...)
Show SMILES CCOC(=O)c1cccnc1N1C[C@H](C)N([C@H](C)C1)C(=O)c1cc(Cl)c(N)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N4O3/c1-4-30-21(29)15-6-5-7-25-19(15)26-10-12(2)27(13(3)11-26)20(28)14-8-16(22)18(24)17(23)9-14/h5-9,12-13H,4,10-11,24H2,1-3H3/t12-,13+
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19n/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))
BDBM50195505
PNG
(CHEMBL223506 | ethyl 2-((3R,5S)-4-(4-amino-3,5-dic...)
Show SMILES CCOC(=O)c1cccnc1N1C[C@H](C)N([C@H](C)C1)C(=O)c1cc(Cl)c(N)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N4O3/c1-4-30-21(29)15-6-5-7-25-19(15)26-10-12(2)27(13(3)11-26)20(28)14-8-16(22)18(24)17(23)9-14/h5-9,12-13H,4,10-11,24H2,1-3H3/t12-,13+
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23n/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))
BDBM50195505
PNG
(CHEMBL223506 | ethyl 2-((3R,5S)-4-(4-amino-3,5-dic...)
Show SMILES CCOC(=O)c1cccnc1N1C[C@H](C)N([C@H](C)C1)C(=O)c1cc(Cl)c(N)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N4O3/c1-4-30-21(29)15-6-5-7-25-19(15)26-10-12(2)27(13(3)11-26)20(28)14-8-16(22)18(24)17(23)9-14/h5-9,12-13H,4,10-11,24H2,1-3H3/t12-,13+
PDB
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Article
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n/an/a 360n/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