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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50438067'   
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))
BDBM50438067
PNG
(CHEMBL2409727)
Show SMILES CC1(C)OC(NS(=O)(=O)C1(C)C)=N[C@@H](CCO)c1cccc(c1)C#N |r,w:4.4|
Show InChI InChI=1S/C17H23N3O4S/c1-16(2)17(3,4)25(22,23)20-15(24-16)19-14(8-9-21)13-7-5-6-12(10-13)11-18/h5-7,10,14,21H,8-9H2,1-4H3,(H,19,20)/t14-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Sanofi Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 23: 4685-91 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.102
BindingDB Entry DOI: 10.7270/Q2BV7J2H
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50438067
PNG
(CHEMBL2409727)
Show SMILES CC1(C)OC(NS(=O)(=O)C1(C)C)=N[C@@H](CCO)c1cccc(c1)C#N |r,w:4.4|
Show InChI InChI=1S/C17H23N3O4S/c1-16(2)17(3,4)25(22,23)20-15(24-16)19-14(8-9-21)13-7-5-6-12(10-13)11-18/h5-7,10,14,21H,8-9H2,1-4H3,(H,19,20)/t14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Sanofi Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 23: 4685-91 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.102
BindingDB Entry DOI: 10.7270/Q2BV7J2H
More data for this
Ligand-Target Pair